SCHEMBL7680346

SCHEMBL7680346

C[C@@H](c1ccc(/C=C/c2ccnn2C)cc1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 17/20 0.56
CYP2C9 P11712 10/20 0.56
CYP2C19 P33261 10/20 0.56
LMNA P02545 2/20 0.56
CYP2B6 P20813 1/20 0.56
CYP3A5 P20815 1/20 0.56
CYP3A7 P24462 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP3A43 Q9HB55 1/20 0.56
CYP46A1 Q9Y6A2 1/20 0.56
CYP1A2 P05177 6/20 0.49
CYP2D6 P10635 6/20 0.49
KCNH2 Q12809 3/20 0.49
HSP90AA1 P07900 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
ADRA1A P35348 1/20 0.49
CYP51A1 Q16850 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.42

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
SCHEMBL7680351 1.00 CYP3A4 (0.56) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL9826014 0.84 CYP3A4 (0.72) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL6283233 0.84 CYP3A4 (0.60) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL8178770 0.84 CYP3A4 (0.57) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL7278330 0.82 CYP3A4 (0.70) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL7268075 0.82 CYP3A4 (0.70) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL9826002 0.81 CYP3A4 (0.67) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL7682304 0.81 CYP3A4 (0.67) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL9826570 0.81 CYP3A4 (0.70) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL7260680 0.79 CYP3A4 (0.65) CYP3A4CYP2C9CYP2C19LMNACYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0796858-B1 Triazole antifungal agents PFIZER LTD (GB) 2000-11-02 EP claimed
US-5981560-A 1,2,4-TRIAZOLE FUNGICIDES PFIZER INC. (US) 1999-11-09 US claimed
EP-0796858-A1 Triazole antifungal agents Pfizer Limited (GB) 1997-09-24 EP claimed
JP-10007663-A None JP disclosed
US-6376526-B1 FOR HUANS, ANIMALS PFIZER INC. 2002-04-23 US disclosed
EP-0796858-B1 Triazole antifungal agents PFIZER LTD (GB) 2000-11-02 EP disclosed
US-6124325-A Triazole antifungal agents PFIZER INC. (US) 2000-09-26 US disclosed
US-5981560-A 1,2,4-TRIAZOLE FUNGICIDES PFIZER INC. (US) 1999-11-09 US disclosed
JP-H107663-A TRIAZOLE ANTIMYCOTIC AGENT PFIZER INC 1998-01-13 JP disclosed
EP-0796858-A1 Triazole antifungal agents Pfizer Limited (GB) 1997-09-24 EP disclosed