SCHEMBL8698136

SCHEMBL8698136

COC1CCOC(c2cc(F)cc(OCc3ccc(-n4ccnc4C)cc3)c2)C1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.56
GRM5 P41594 1/20 0.38
NR3C2 P08235 2/20 0.35
MCHR1 Q99705 7/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL8695817 0.99 ALOX5 (0.55) ALOX5GRM5NR3C2MCHR1CYP1A2
Fumaric Acid SCHEMBL8695811 0.93 ALOX5 (0.51) ALOX5GRM5NR3C2MCHR1CYP3A4
Cadaverine Tartrate SCHEMBL8700671 0.92 ALOX5 (0.51) ALOX5GRM5NR3C2MCHR1CYP3A4
SCHEMBL8696026 0.91 ALOX5 (0.48) ALOX5GRM5NR3C2MCHR1CYP2D6
SCHEMBL8695831 0.91 ALOX5 (0.46) ALOX5GRM5MCHR1
Hydrochloric Acid SCHEMBL8700984 0.89 ALOX5 (0.44) ALOX5MCHR1
SCHEMBL8700996 0.89 ALOX5 (0.44) ALOX5GRM5NR3C2MCHR1CYP1A2
Hydrochloric Acid SCHEMBL8695823 0.88 ALOX5 (0.43) ALOX5MCHR1
SCHEMBL8702203 0.87 ALOX5 (0.57) ALOX5GRM5NR3C2MCHR1CYP1A2
Hydrochloric Acid SCHEMBL8701116 0.87 ALOX5 (0.42) ALOX5GRM5CYP1A2CYP3A4CYP2D6

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
US-5753682-A Imidazole lipoxygenase inhibitors PFIZER INC. (US) 1998-05-19 US claimed
US-5753682-A Imidazole lipoxygenase inhibitors PFIZER INC. (US) 1998-05-19 US disclosed