SCHEMBL5848904

SCHEMBL5848904

CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)c1cc(-c3c(Cl)cccc3Cl)cc3c1N2CCC3

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 3/20 0.39
USP30 Q70CQ3 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2A P28223 4/20 0.38
HTR2C P28335 4/20 0.38
DRD2 P14416 3/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
HTR2B P41595 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL5849542 0.97 STS (0.40) STSNPC1RAB9ALMNAMAPT
SCHEMBL5846999 0.91 HTR2A (0.39) STSNPC1RAB9ALMNAMAPT
SCHEMBL5848901 0.90 HTR2A (0.40) STSNPC1RAB9ALMNAMAPT
SCHEMBL5847223 0.90 HTR2C (0.41) NPC1RAB9ATP53USP30HTR2A
SCHEMBL5846980 0.89 STS (0.41) STSNPC1RAB9ALMNAMAPT
SCHEMBL5846954 0.89 TP53 (0.42) STSNPC1RAB9AMAPTTP53
SCHEMBL5847469 0.88 STS (0.39) STSNPC1RAB9ALMNAMAPT
SCHEMBL5847225 0.88 MEN1 (0.39) STSNPC1RAB9ALMNAMAPT
SCHEMBL5846974 0.88 NPC1 (0.40) STSNPC1RAB9AUSP30MEN1
SCHEMBL5847308 0.88 USP30 (0.41) STSNPC1RAB9ALMNATP53

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