SCHEMBL6977811

SCHEMBL6977811

CC(c1c[nH]c2ccccc12)N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.53
FFAR1 O14842 2/20 0.53
HTR2C P28335 3/20 0.49
HTR2A P28223 1/20 0.49
HTR2B P41595 1/20 0.49
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
ALOX15 P16050 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
MAPT P10636 3/20 0.42
ADRB2 P07550 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP2D6 P10635 3/20 0.41

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
SCHEMBL9456621 0.86 GPR84 (0.54) GPR84FFAR1HTR2CHTR2AHTR2B
SCHEMBL28435635 0.82 HTR2C (0.45) GPR84FFAR1HTR2CHTR2AHTR2B
SCHEMBL10853032 0.81 HTR2A (0.49) GPR84FFAR1HTR2CHTR2AHTR2B
SCHEMBL742887 0.78 GPR84 (0.42) GPR84FFAR1HTR2CHTR2AHTR2B
SCHEMBL10851367 0.78 HTR2A (0.52) GPR84FFAR1HTR2CHTR2AHTR2B
SCHEMBL11824477 0.76 GPR84 (0.47) GPR84FFAR1HTR2CHTR2AHTR2B
SCHEMBL5421136 0.76 GPR84 (0.43) GPR84FFAR1HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL5415342 0.75 GPR84 (0.43) GPR84FFAR1HTR2CHTR2AHTR2B
SCHEMBL10854045 0.74 SOS1 (0.44) GPR84FFAR1ALDH1A1KDM4ENPC1
SCHEMBL7615301 0.73 GPR84 (0.67) GPR84FFAR1HTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894089-B9 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2003-04-02 EP disclosed
EP-0894089-B1 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2002-10-23 EP disclosed
US-5889032-A Heterocyclic compounds having antidiabetic, hypolipidaemic, antihypertensive properties, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-03-30 US disclosed
EP-0894089-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-02-03 EP disclosed
WO-1997041121-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1997-11-06 WO disclosed