SCHEMBL18617804

SCHEMBL18617804

CCc1cccc(C2CCNCC2C)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC5A1 P13866 1/20 0.37
▸ SLC5A2 P31639 1/20 0.37
▸ SSTR1 P30872 1/20 0.37
▸ SSTR4 P31391 1/20 0.37
▸ HTR2C P28335 3/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ NISCH Q9Y2I1 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ EED O75530 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
SCHEMBL20671885 0.89 DRD2 (0.43) SSTR1SSTR4HTR2CCHRNB4CHRNA3
SCHEMBL18617817 0.84 TLR9 (0.43) SLC5A1SLC5A2SSTR4HTR2CCHRNB4
SCHEMBL13439513 0.84 MAPT (0.37) SSTR1SSTR4HTR2CMAPTPKM
SCHEMBL13439512 0.84 MAPT (0.37) SSTR1SSTR4HTR2CMAPTPKM
SCHEMBL30228264 0.83 P2RY14 (0.37) SSTR1SSTR4HTR2CCHRNB4CHRNA3
SCHEMBL13646153 0.82 SSTR1 (0.40) SSTR1SSTR4MAPTPKM
SCHEMBL13646152 0.82 SSTR1 (0.40) SSTR1SSTR4MAPTPKM
SCHEMBL13646150 0.82 SSTR1 (0.40) SSTR1SSTR4MAPTPKM
SCHEMBL13646151 0.82 SSTR1 (0.40) SSTR1SSTR4MAPTPKM
SCHEMBL17308329 0.80 HTR2C (0.50) HTR2C

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
WO-2017040449-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 — — WO disclosed
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