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SCHEMBL3665284

SCHEMBL3665284

Cc1c(C(F)(F)F)ccc2c1NC(=O)C2(c1ccc(O)cc1)C1CCCC1.Cc1cc2c(c(C)c1F)NC(=O)C2(c1ccc(O)cc1)C1CCCC1.Cc1cc2c(c(C)c1F)NC(=O)C2(c1ccc(O)cc1)C1CCCCC1.Cc1cc2c(c(C)c1F)NC(=O)C2(c1ccc(O)cc1)C1CCCCCC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ GPR35 Q9HC97 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32

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
SCHEMBL3089792 0.92 CNR1 (0.34) CNR1HTTGPR35GPR55
SCHEMBL3082363 0.92 CNR1 (0.34) CNR1HTTGPR35GPR55
SCHEMBL3089544 0.91 CNR1 (0.38) CNR1HTTGPR35GPR55
SCHEMBL3070541 0.91 CNR1 (0.35) CNR1HTTGPR35GPR55
SCHEMBL3083518 0.91 CNR1 (0.38) CNR1HTTGPR35GPR55
SCHEMBL3084175 0.89 CNR1 (0.38) CNR1HTTGPR35GPR55
SCHEMBL3669051 0.86 HTR2A (0.32) —
SCHEMBL3089644 0.80 CNR1 (0.39) CNR1HTTGPR35GPR55
SCHEMBL3096400 0.80 CNR1 (0.36) CNR1HTTGPR35GPR55
SCHEMBL3089797 0.80 CNR1 (0.39) CNR1HTTGPR35GPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139856-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE-COMPOUNDS Topotarget A/S (DK) 2010-01-06 — — EP claimed
WO-2008129075-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE-COMPOUNDS TOPOTARGET A/S (DK) 2008-10-30 — — WO claimed