SCHEMBL5847469

SCHEMBL5847469

CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)c1cc(-c3cccc(Cl)c3Cl)cc3c1N2CCCC3

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTR2A P28223 6/20 0.37
HTR2C P28335 6/20 0.37
DRD2 P14416 4/20 0.37
HTR2B P41595 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
USP30 Q70CQ3 2/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
MAPT P10636 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
SCHEMBL5846999 0.97 HTR2A (0.39) STSNPC1RAB9AHTR2AHTR2C
SCHEMBL5848496 0.94 STS (0.40) STSNPC1RAB9AGPR119LMNA
SCHEMBL5847225 0.93 MEN1 (0.39) STSNPC1RAB9AHTR2AHTR2C
SCHEMBL5849542 0.91 STS (0.40) STSNPC1RAB9AHTR2AHTR2C
SCHEMBL5848901 0.91 HTR2A (0.40) STSNPC1RAB9AHTR2AHTR2C
SCHEMBL5848904 0.88 STS (0.41) STSNPC1RAB9AHTR2AHTR2C
SCHEMBL5847375 0.88 CNR1 (0.40) STSNPC1RAB9AHTR2AHTR2C
SCHEMBL5847676 0.88 GPR119 (0.39) STSNPC1RAB9AHTR2AHTR2C
SCHEMBL5846989 0.87 MEN1 (0.41) STSGPR119LMNATP53MEN1
SCHEMBL5420542 0.87 HTR2A (0.41) NPC1RAB9AHTR2AHTR2CDRD2

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