SCHEMBL6555199

SCHEMBL6555199

COc1ccccc1CNCC(NC1C2CC3CC(C2)CC1C3)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
TACR1 P25103 10/20 0.47
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM1A O60341 2/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 1/20 0.44
CACNA1F O60840 1/20 0.44
CHRM5 P08912 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
GPR65 Q8IYL9 1/20 0.44
BCHE P06276 1/20 0.44
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42

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 SCHEMBL8931153 0.99 MEN1 (0.56) MEN1KMT2ATACR1ATML3MBTL1
Hydrochloric Acid SCHEMBL9353818 0.88 POLB (0.49) MEN1KMT2ATACR1ATML3MBTL1
SCHEMBL9350303 0.84 MEN1 (0.54) MEN1KMT2ATACR1ATML3MBTL1
SCHEMBL6556892 0.82 MEN1 (0.64) MEN1KMT2ATACR1ATML3MBTL1
Hydrochloric Acid SCHEMBL8621173 0.81 MEN1 (0.63) MEN1KMT2ATACR1ATML3MBTL1
SCHEMBL6555294 0.80 MEN1 (0.61) MEN1KMT2ATACR1ATML3MBTL1
SCHEMBL6555248 0.80 MEN1 (0.61) MEN1KMT2ATACR1ATML3MBTL1
SCHEMBL6556931 0.79 MEN1 (0.60) MEN1KMT2ATACR1ATML3MBTL1
SCHEMBL6556099 0.79 MEN1 (0.60) MEN1KMT2ATACR1ATML3MBTL1
Hydrochloric Acid SCHEMBL8620287 0.78 MEN1 (0.59) MEN1KMT2ATACR1ATML3MBTL1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2614408-B2 1997-05-28 JP 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-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
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