SCHEMBL6555183

SCHEMBL6555183

COc1ccc(C(C)C)cc1CNCC(NC1CCCCC1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.49
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CFTR P13569 1/20 0.43
TACR1 P25103 5/20 0.42
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SGPL1 O95470 1/20 0.39
BCHE P06276 1/20 0.39

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
SCHEMBL8620404 0.99 CYP2D6 (0.50) CYP2D6MEN1KMT2ACFTRTACR1
SCHEMBL6556099 0.87 MEN1 (0.60) MEN1KMT2ATACR1L3MBTL1LMNA
SCHEMBL6556931 0.87 MEN1 (0.60) MEN1KMT2ATACR1L3MBTL1LMNA
Hydrochloric Acid SCHEMBL8620287 0.86 MEN1 (0.59) MEN1KMT2ATACR1L3MBTL1LMNA
SCHEMBL7713389 0.86 TACR1 (0.48) CYP2D6MEN1KMT2ACFTRTACR1
SCHEMBL6555294 0.86 MEN1 (0.61) MEN1KMT2ATACR1L3MBTL1LMNA
SCHEMBL6556838 0.85 SGPL1 (0.48) MEN1KMT2AGAAL3MBTL1KDM4E
SCHEMBL8621981 0.84 TACR1 (0.48) CYP2D6MEN1KMT2ACFTRTACR1
SCHEMBL8620048 0.84 SGPL1 (0.49) MEN1KMT2AGAAL3MBTL1KDM4E
SCHEMBL6555248 0.83 MEN1 (0.61) MEN1KMT2ATACR1L3MBTL1LMNA

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 21 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
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
WO-1996014845-A1 NK-1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EYE DISORDERS PFIZER INC. (US) 1996-05-23 WO 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
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