SCHEMBL31489727

SCHEMBL31489727

OC(c1ccc(F)cc1)C1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.55
HTR2C P28335 2/20 0.55
HTR7 P34969 2/20 0.55
DHODH Q02127 1/20 0.51
CYP2D6 P10635 1/20 0.48
HTR6 P50406 1/20 0.47
RPS6KB1 P23443 4/20 0.45
HRH3 Q9Y5N1 1/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL26326631 0.98 DHODH (0.54) HTR2AHTR2CHTR7DHODHCYP2D6
SCHEMBL3051979 0.96 HTR2A (0.55) HTR2AHTR2CHTR7DHODHCYP2D6
SCHEMBL1348883 0.91 HTR2A (0.58) HTR2AHTR2CHTR7DHODHCYP2D6
SCHEMBL30910924 0.82 HTR2A (0.51) HTR2AHTR2CHTR7DHODHCYP2D6
SCHEMBL3303526 0.82 HTR2A (0.51) HTR2AHTR2CHTR7CYP2D6HTR6
SCHEMBL16861567 0.82 HTR2A (0.51) HTR2AHTR2CHTR7DHODHCYP2D6
SCHEMBL16861667 0.82 HTR2A (0.51) HTR2AHTR2CHTR7DHODHCYP2D6
SCHEMBL15994961 0.82 HTR2A (0.51) HTR2AHTR2CHTR7DHODHCYP2D6
SCHEMBL16978485 0.82 DHODH (0.44) HTR2AHTR2CHTR7DHODHCYP2D6
SCHEMBL21911551 0.81 HTR2A (0.50) HTR2AHTR2CHTR7DHODHCYP2D6

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-2025072395-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-03 WO disclosed