SCHEMBL6556892

SCHEMBL6556892

COc1ccccc1CNCC(NC1CC1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
BCHE P06276 5/20 0.48
TACR1 P25103 2/20 0.47
KDM1A O60341 2/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 1/20 0.46
GRIN1 Q05586 3/20 0.46
GRIN2A Q12879 3/20 0.46
CHRM2 P08172 3/20 0.46
ACHE P22303 2/20 0.46

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 SCHEMBL8621173 0.99 MEN1 (0.63) MEN1KMT2AATML3MBTL1BCHE
SCHEMBL6555294 0.95 MEN1 (0.61) MEN1KMT2AATML3MBTL1BCHE
SCHEMBL6555248 0.95 MEN1 (0.61) MEN1KMT2AATML3MBTL1BCHE
SCHEMBL6556931 0.94 MEN1 (0.60) MEN1KMT2AATML3MBTL1BCHE
SCHEMBL6556099 0.94 MEN1 (0.60) MEN1KMT2AATML3MBTL1BCHE
Hydrochloric Acid SCHEMBL8620287 0.93 MEN1 (0.59) MEN1KMT2AATML3MBTL1BCHE
SCHEMBL6557014 0.82 MEN1 (0.73) MEN1KMT2AATML3MBTL1BCHE
SCHEMBL6555199 0.82 MEN1 (0.57) MEN1KMT2AATML3MBTL1BCHE
SCHEMBL8620404 0.82 CYP2D6 (0.50) MEN1KMT2AL3MBTL1BCHETACR1
SCHEMBL9350303 0.82 MEN1 (0.54) 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0613458-B1 ACYCLIC ETHYLENEDIAMINE DERIVATIVES AS SUBSTANCE P RECEPTOR ANTAGONISTS PFIZER (US) 1998-01-07 EP claimed
JP-2614408-B2 1997-05-28 JP claimed
US-5521220-A Acyclic ethylenediamine derivatives PFIZER INC. (US) 1996-05-28 US 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
EP-0721778-B1 NK-1 receptor antagonists for the treatment of neuronal injury and stroke PFIZER (US) 2004-03-03 EP disclosed
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-0613458-B1 ACYCLIC ETHYLENEDIAMINE DERIVATIVES AS SUBSTANCE P RECEPTOR ANTAGONISTS PFIZER (US) 1998-01-07 EP 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
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