SCHEMBL5847375

SCHEMBL5847375

CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)c1cc(-c3ccc(Cl)cc3Cl)cc3c1N2CCCC3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.40
CNR2 P34972 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2B P41595 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PAK1 Q13153 1/20 0.37
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
TP53 P04637 3/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL5848567 0.97 HTR2C (0.41) CNR1CNR2HTR2CHTR2AHTR2B
SCHEMBL5847234 0.94 CNR1 (0.41) CNR1CNR2GPR119PAK1FNTA
SCHEMBL5847676 0.93 GPR119 (0.39) CNR1CNR2HTR2CHTR2AHTR2B
SCHEMBL5847743 0.91 HTR2A (0.48) HTR2CHTR2AHTR2BGPR119NPC1
SCHEMBL5846950 0.91 HTR2A (0.40) CNR1CNR2HTR2CHTR2AHTR2B
SCHEMBL5847225 0.91 MEN1 (0.39) CNR1CNR2HTR2CHTR2AHTR2B
SCHEMBL5847206 0.90 HTR2A (0.42) HTR2CHTR2AHTR2BGPR119NPC1
SCHEMBL5848083 0.90 USP30 (0.40) CNR1CNR2GPR119NPC1RAB9A
SCHEMBL5848901 0.88 HTR2A (0.40) CNR1CNR2HTR2CHTR2AHTR2B
SCHEMBL5847512 0.88 STS (0.41) HTR2CHTR2AHTR2BGPR119NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7081455-B2 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-25 US disclosed