SCHEMBL5636199

SCHEMBL5636199

CC(C)(C)OC(=O)N1CCC2c3cc(-c4ccc(Cl)cc4Cl)cc4c3N(CCO4)C2CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.42
USP30 Q70CQ3 1/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CNR2 P34972 1/20 0.38
MAPT P10636 3/20 0.38
STS P08842 2/20 0.38
UTS2R Q9UKP6 3/20 0.38
GRM5 P41594 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL5636262 0.89 CNR1 (0.41) CNR1USP30MEN1USP2HPGD
SCHEMBL5637776 0.85 USP30 (0.49) CNR1USP30MEN1KMT2ACNR2
SCHEMBL5636828 0.83 USP30 (0.40) CNR1USP30MEN1USP2HPGD
SCHEMBL5636403 0.82 USP30 (0.42) USP30MAPTGPR119TP53
SCHEMBL5636070 0.82 USP30 (0.39) USP30MEN1USP2HPGDKMT2A
SCHEMBL5638128 0.82 HTR2C (0.55) CNR1MEN1USP2HPGDKMT2A
SCHEMBL5637526 0.82 HTR2C (0.55) CNR1MEN1USP2HPGDKMT2A
SCHEMBL5636742 0.81 USP30 (0.41) CNR1USP30MEN1USP2HPGD
SCHEMBL5636737 0.81 USP30 (0.38) USP30MEN1HPGDKMT2AHSD17B10
SCHEMBL5635971 0.80 USP30 (0.47) CNR1USP30MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39679-E1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-06-05 US disclosed
US-6713471-B1 SUCH AS TERT-BUTYL-1-METHYL-6,7,9,12-TETRAHYDRO-5H-PYRIDO-(4,3-B)(1,4) THIAZEPINO(2,3,4-HI)INDOLE-11(10H)-CARBOXYLATE; SEROTONIN AGONISTS AND ANTAGONISTS; CENTRAL NERVOUS SYSTEM DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-30 US disclosed