SCHEMBL4666383

SCHEMBL4666383

CCNC(C)c1c[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.60
FFAR1 O14842 2/20 0.57
HTR2A P28223 4/20 0.57
HTR2C P28335 2/20 0.57
HTR2B P41595 2/20 0.57
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
CYP2D6 P10635 2/20 0.49
KCNH2 Q12809 1/20 0.49
ADRB1 P08588 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR1E P28566 1/20 0.45
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL12812595 0.87 GPR84 (0.58) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL30771660 0.81 GPR84 (0.62) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL30771661 0.81 GPR84 (0.62) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL1253068 0.81 GPR84 (0.62) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL22094480 0.81 PARP1 (0.41) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL31309046 0.81 PARP1 (0.41) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL1878736 0.80 GPR84 (0.53) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL25030300 0.80 GPR84 (0.55) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL7917319 0.79 GPR84 (0.61) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL10968796 0.78 PKM (0.55) GPR84FFAR1HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO disclosed
EP-0863873-B1 INDOLE CARBAMATES AS LEUKOTRIENE ANTAGONISTS PFIZER (US) 1999-11-10 EP disclosed
US-5965745-A ASTHMA; ANTIARTHRITIC,-SHOCK AGENTS; BRONCHITIS; RESPIRATORY SYSTEM DISEASES, E.G. CHRONIC OBSTRUCTIVE AIRWAYS DISEASES; PSORIASIS; ALLERGIC RHINITIS; ATOPIC DERMATITIS PFIZER INC (US) 1999-10-12 US disclosed
EP-0863873-A1 INDOLE CARBAMATES AS LEUKOTRIENE ANTAGONISTS PFIZER INC. (US) 1998-09-16 EP disclosed
WO-1997013751-A1 INDOLE CARBAMATES AS LEUKOTRIENE ANTAGONISTS PFIZER INC. (US) 1997-04-17 WO disclosed