SCHEMBL6173573

SCHEMBL6173573

CC(c1ccncc1NC(=O)Cc1ccccc1)C1(C(C)c2ccncc2NC(=O)Cc2ccccc2)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 3/20 0.41
CACNA1G O43497 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
KDM4C Q9H3R0 2/20 0.40
KDM6B O15054 1/20 0.40
KDM4D Q6B0I6 1/20 0.40
CXCR3 P49682 8/20 0.39
NTRK1 P04629 2/20 0.39
TRPV1 Q8NER1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM5A P29375 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
LMNA P02545 1/20 0.37
DGAT2 Q96PD7 1/20 0.37
CYP3A4 P08684 3/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL6278206 0.91 TRPV1 (0.49) KDM4CCXCR3NTRK1TRPV1ALDH1A1
SCHEMBL6174515 0.88 ALDH1A1 (0.45) KDM4CKDM4DTRPV1ALDH1A1CYP3A4
SCHEMBL6172844 0.88 CYP3A4 (0.40) KDM4CCXCR3TRPV1ALDH1A1KDM5A
SCHEMBL6175907 0.87 ALDH1A1 (0.39) KDM4CCXCR3TRPV1ALDH1A1KDM5A
SCHEMBL6173454 0.87 CYP2C9 (0.41) TRPV1ALDH1A1LMNACYP3A4GAA
SCHEMBL6172506 0.87 NAMPT (0.40) KDM4CKDM6BKDM4DALDH1A1LMNA
SCHEMBL6174412 0.85 MAPT (0.39) CXCR3TRPV1ALDH1A1LMNACYP3A4
SCHEMBL6178460 0.84 LIPE (0.38) KDM4CCXCR3TRPV1ALDH1A1KDM5A
SCHEMBL6174469 0.84 TDP1 (0.42) TRPV1ALDH1A1CYP3A4GAACYP2C9
SCHEMBL6173479 0.83 ALDH1A1 (0.44) KDM4CTRPV1ALDH1A1KDM5AKDM5B

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
EP-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO disclosed