SCHEMBL6940912

SCHEMBL6940912

CC(C)n1ncn(-c2ccc(N3CCN([C@H](C)[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)cc2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 14/20 0.51
CYP2C9 P11712 12/20 0.51
CYP2C19 P33261 11/20 0.51
LMNA P02545 3/20 0.51
CYP2B6 P20813 1/20 0.51
CYP3A5 P20815 1/20 0.51
CYP3A7 P24462 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP3A43 Q9HB55 1/20 0.51
CYP46A1 Q9Y6A2 1/20 0.51
CYP1A2 P05177 8/20 0.50
CYP2D6 P10635 8/20 0.50
KCNH2 Q12809 3/20 0.50
CYP19A1 P11511 2/20 0.47
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
ABCB11 O95342 1/20 0.47
CYP17A1 P05093 1/20 0.47
PTGS2 P35354 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47

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
SCHEMBL6936623 0.94 CYP3A4 (0.50) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL6944059 0.94 CYP3A4 (0.50) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL6942294 0.94 CYP3A4 (0.50) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL6938477 0.94 LMNA (0.51) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL6938539 0.94 CYP3A4 (0.50) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL6942811 0.89 CYP3A4 (0.49) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL6936673 0.89 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL6939086 0.88 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL8721378 0.88 CYP3A4 (0.52) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL8723227 0.88 CYP3A4 (0.52) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889881-B1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS NAEJA PHARMACEUTICAL INC (CA) 2003-04-23 EP claimed
US-6153616-A Triazoles as therapeutic agents for fungal infections SYNPHAR LABORATORIES, INC. (CA) 2000-11-28 US claimed
EP-0889881-A1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS SYNPHAR LABORATORIES INC. (CA) 1999-01-13 EP claimed
WO-1998031675-A1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS SYNPHAR LABORATORIES, INC. (US) 1998-07-23 WO claimed
EP-0889881-B1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS NAEJA PHARMACEUTICAL INC (CA) 2003-04-23 EP disclosed
US-6153616-A Triazoles as therapeutic agents for fungal infections SYNPHAR LABORATORIES, INC. (CA) 2000-11-28 US disclosed