SCHEMBL6015142

SCHEMBL6015142

CN1C=C2C(=O)N(C3CCN(C(=O)[C@@H](Cc4ccc(C#N)cc4)NC(=O)O)CC3)CN2C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 13/20 0.42
FPR1 P21462 12/20 0.42
CALCA P06881 1/20 0.40
P2RX7 Q99572 1/20 0.36
YAP1 P46937 1/20 0.36
CYP3A4 P08684 1/20 0.35
CALCRL Q16602 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 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
SCHEMBL6015065 0.90 ALDH1A1 (0.43) FPR2CYP3A4CALCRL
SCHEMBL3451041 0.90 ALDH1A1 (0.43) FPR2CYP3A4CALCRL
SCHEMBL3448717 0.87 FPR2 (0.52) FPR2FPR1
SCHEMBL6015050 0.85 YAP1 (0.45) YAP1CALCRL
SCHEMBL6015112 0.83 CCR1 (0.38) FPR2
SCHEMBL6015116 0.83 CYP51A1 (0.42) FPR2CALCACALCRL
SCHEMBL6015029 0.81 CCR1 (0.40) CYP3A4CALCRL
SCHEMBL6015073 0.81 CCR1 (0.40)
SCHEMBL6015003 0.80 CCKBR (0.40)
SCHEMBL6015148 0.79 UBE2N (0.41)

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
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP disclosed