SCHEMBL5847635

SCHEMBL5847635

CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)c1cc(-c3ccccc3C=O)cc3c1N2CCC3

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.40
HTR2C P28335 5/20 0.40
HTR2B P41595 1/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
USP30 Q70CQ3 9/20 0.37
DRD2 P14416 4/20 0.37
GPR119 Q8TDV5 2/20 0.36
HPGDS O60760 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL5847380 0.98 HTR2A (0.38) HTR2AHTR2CHTR2BNPC1RAB9A
SCHEMBL5848901 0.89 HTR2A (0.40) HTR2AHTR2CHTR2BNPC1RAB9A
SCHEMBL5848188 0.89 HTR2A (0.50) HTR2AHTR2CHTR2BNPC1RAB9A
SCHEMBL5847225 0.88 MEN1 (0.39) HTR2AHTR2CHTR2BNPC1RAB9A
SCHEMBL5847769 0.87 HTR2A (0.50) HTR2AHTR2CHTR2BNPC1RAB9A
SCHEMBL5847725 0.87 HTR2A (0.39) HTR2AHTR2CHTR2BNPC1RAB9A
SCHEMBL5848505 0.87 HTR2A (0.48) HTR2AHTR2CHTR2BNPC1RAB9A
SCHEMBL5636475 0.87 USP30 (0.44) USP30GPR119HPGDS
SCHEMBL5846925 0.87 HTR2A (0.47) HTR2AHTR2CHTR2BNPC1RAB9A
SCHEMBL5849267 0.87 HTR2A (0.39) HTR2AHTR2CHTR2BNPC1RAB9A

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