SCHEMBL7717818

SCHEMBL7717818

COc1ccccc1CNCC(NC(C)c1ccccc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
BCHE P06276 6/20 0.50
CHRM2 P08172 8/20 0.48
GRIN1 Q05586 4/20 0.48
GRIN2A Q12879 4/20 0.48
ACHE P22303 4/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
CHRM4 P08173 1/20 0.48
CYP3A4 P08684 1/20 0.48
CHRM5 P08912 1/20 0.48
CYP2D6 P10635 1/20 0.48
CHRM1 P11229 1/20 0.48
TSHR P16473 1/20 0.48
CHRM3 P20309 1/20 0.48
THPO P40225 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL8931151 0.99 MEN1 (0.66) MEN1KMT2AATML3MBTL1BCHE
SCHEMBL6557248 0.90 MEN1 (0.69) MEN1KMT2AATML3MBTL1BCHE
Hydrochloric Acid SCHEMBL8621357 0.89 MEN1 (0.68) MEN1KMT2AATML3MBTL1BCHE
SCHEMBL6557014 0.85 MEN1 (0.73) MEN1KMT2AATML3MBTL1BCHE
Hydrochloric Acid SCHEMBL8620824 0.83 MEN1 (0.71) MEN1KMT2AATML3MBTL1BCHE
SCHEMBL9229921 0.82 MEN1 (0.69) MEN1KMT2AATML3MBTL1BCHE
SCHEMBL6555362 0.81 MEN1 (0.68) MEN1KMT2AATML3MBTL1BCHE
SCHEMBL6555107 0.81 MEN1 (0.68) MEN1KMT2AATML3MBTL1BCHE
Hydrochloric Acid SCHEMBL8619143 0.81 MEN1 (0.68) MEN1KMT2AATML3MBTL1BCHE
SCHEMBL6555197 0.80 MEN1 (0.66) MEN1KMT2AATML3MBTL1BCHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2614408-B2 1997-05-28 JP claimed
EP-0613458-A1 ACYCLIC ETHYLENEDIAMINE DERIVATIVES AS SUBSTANCE P RECEPTOR ANTAGONISTS PFIZER INC. (US) 1994-09-07 EP claimed
WO-1993010073-A1 ACYCLIC ETHYLENEDIAMINE DERIVATIVES AS SUBSTANCE P RECEPTOR ANTAGONISTS PFIZER INC. (US) 1993-05-27 WO claimed
US-6376507-B1 NERVE SYSTEM DISORDERS, AMYOTROPIC LATERAL SCLEROSIS PFIZER INC. 2002-04-23 US disclosed
US-5750535-A Pharmaceutical agents for the treatment of disorders caused by helicobacter pylori or other spiral urease-positive gram-negative bacteria PFIZER INC. (US) 1998-05-12 US disclosed
EP-0790825-A1 NK-1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EYE DISORDERS PFIZER INC. (US) 1997-08-27 EP disclosed
EP-0721778-A2 NK-1 receptor antagonists for the treatment of neuronal injury and stroke PFIZER INC. (US) 1996-07-17 EP disclosed
US-5521220-A Acyclic ethylenediamine derivatives PFIZER INC. (US) 1996-05-28 US disclosed
WO-1996014845-A1 NK-1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EYE DISORDERS PFIZER INC. (US) 1996-05-23 WO disclosed
US-5519033-A Azabicyclo derivatives for treatment of urinary incontinence PFIZER INC. (US) 1996-05-21 US disclosed
EP-0659409-A2 Substance 1 antagonists for the inhibition of angiogenesis PFIZER INC. (US) 1995-06-28 EP disclosed
EP-0655246-A1 Substance P antagonists for the treatment of disorders caused by helicobacter pylori or other spiral urease-positive gram-negative bacteria PFIZER INC. (US) 1995-05-31 EP disclosed
EP-0653208-A2 Pharmaceutical agents for treatment or prevention of sunburn PFIZER INC. (US) 1995-05-17 EP disclosed
US-5393762-A Pharmaceutical agents for treatment of emesis PFIZER INC. (US) 1995-02-28 US disclosed
EP-0627221-A2 Substance P antagonists for the treatment of emesis PFIZER INC. (US) 1994-12-07 EP disclosed
EP-0613458-A1 ACYCLIC ETHYLENEDIAMINE DERIVATIVES AS SUBSTANCE P RECEPTOR ANTAGONISTS PFIZER INC. (US) 1994-09-07 EP disclosed
US-5340826-A Pharmaceutical agents for treatment of urinary incontinence PFIZER INC. (US) 1994-08-23 US disclosed
EP-0610021-A1 Pharmaceutical agents for treatment of urinary incontinence PFIZER INC. (US) 1994-08-10 EP disclosed
WO-1993010073-A1 ACYCLIC ETHYLENEDIAMINE DERIVATIVES AS SUBSTANCE P RECEPTOR ANTAGONISTS PFIZER INC. (US) 1993-05-27 WO disclosed