SCHEMBL8409241

SCHEMBL8409241

Cc1nccn1-c1ccc(COc2cc(F)cc(C3CC(C(=O)O)CCO3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.55
NR3C2 P08235 7/20 0.37
GRM5 P41594 1/20 0.36
S1PR5 Q9H228 1/20 0.36
MCHR1 Q99705 2/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
PORCN Q9H237 1/20 0.34

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
Fumaric Acid SCHEMBL8695811 0.86 ALOX5 (0.51) ALOX5NR3C2GRM5MCHR1CYP3A4
SCHEMBL8698136 0.86 ALOX5 (0.56) ALOX5NR3C2GRM5MCHR1CYP3A4
Cadaverine Tartrate SCHEMBL8700671 0.85 ALOX5 (0.51) ALOX5NR3C2GRM5MCHR1CYP3A4
Hydrochloric Acid SCHEMBL8701005 0.85 ALOX5 (0.51) ALOX5NR3C2GRM5MCHR1CYP3A4
SCHEMBL8702203 0.85 ALOX5 (0.57) ALOX5NR3C2GRM5MCHR1CYP3A4
Hydrochloric Acid SCHEMBL8695817 0.85 ALOX5 (0.55) ALOX5NR3C2GRM5MCHR1CYP3A4
Hydrochloric Acid SCHEMBL8697235 0.84 ALOX5 (0.56) ALOX5NR3C2GRM5MCHR1CYP3A4
Hydrochloric Acid SCHEMBL8695889 0.83 ALOX5 (0.51) ALOX5NR3C2GRM5MCHR1CYP3A4
SCHEMBL8410986 0.82 S1PR5 (0.41) S1PR5
SCHEMBL8696026 0.81 ALOX5 (0.48) ALOX5NR3C2GRM5MCHR1CYP2D6

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-5883106-A 5-lipoxygenase inhibitors PFIZER INC. (US) 1999-03-16 US disclosed