SCHEMBL6186961

SCHEMBL6186961

c1cc2cc3c(cc2[nH]1)CCN3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
AHR P35869 7/20 0.41
CMA1 P23946 1/20 0.41
TYR P14679 1/20 0.41
NISCH Q9Y2I1 1/20 0.38
CYP2A6 P11509 2/20 0.38
ENPP2 Q13822 2/20 0.38
CSNK2A1 P68400 1/20 0.38
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPA1 O75762 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ITGB2 P05107 1/20 0.38

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
SCHEMBL31497397 0.89 CA12 (0.44) GPR84AHRCMA1TYRNISCH
SCHEMBL6308292 0.73 PNMT (0.44) DRD2GPR84AHR
SCHEMBL30481091 0.73 PNMT (0.44) DRD2GPR84AHR
SCHEMBL6313377 0.73 PNMT (0.44) DRD2GPR84AHR
SCHEMBL5755884 0.72 ALDH1A1 (0.56) DRD2DRD4MEN1POLBKMT2A
SCHEMBL24086184 0.72 GPR84 (0.48) GPR84AHRCMA1TYRCYP2A6
SCHEMBL4496862 0.72 DRD2 (0.56) DRD2DRD4CA1CA2KDM4E
Indole SCHEMBL566666 0.71 TRPA1 (0.59) DRD2DRD4AHRNISCHMEN1
SCHEMBL2530865 0.70 GPR84 (0.67) GPR84AHRCMA1TYRCYP2A6
SCHEMBL13154685 0.69 ALDH1A1 (0.53) DRD2DRD4MEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831829-B1 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER (US) 2003-08-20 EP claimed
WO-2017208211-A1 IDENTIFICATION OF DRUGS THAT INCREASE MUSCLE MASS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-12-07 WO disclosed
EP-0994862-B1 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 2005-06-01 EP disclosed
EP-0831829-B1 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER (US) 2003-08-20 EP disclosed
US-6395733-B1 ANTICANCER AGENTS; ANTIPROLIFERATIVE AGENTS PFIZER INC 2002-05-28 US disclosed
US-5736534-A HYPERPROLIFERATIVE DISEASES; INHIBITORS OF PROTEIN-TYROSINE KINASES SUCH AS EPIDERMAL GROWTH FACTOR RECEPTOR; BRAIN, LUNG, BREAST CANCER; PSORIASIS AND BENIGN PROSTATE HYPERPLASIA PFIZER INC. (US) 1998-04-07 US disclosed
EP-0746554-A1 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS PFIZER INC. (US) 1996-12-11 EP disclosed
WO-1995023141-A1 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS PFIZER INC. (US) 1995-08-31 WO disclosed