SCHEMBL6015060

SCHEMBL6015060

Cc1ncc2n1C(=O)N(C1CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)O)CC1)C2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.51
F2 P00734 2/20 0.51
CALCRL Q16602 4/20 0.42
KMT2A Q03164 3/20 0.41
FPR2 P25090 1/20 0.41
CYP51A1 Q16850 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL3451037 1.00 F10 (0.51) F10F2CALCRLKMT2AFPR2
SCHEMBL6015047 0.93 F10 (0.47) F10F2
SCHEMBL6015110 0.92 F10 (0.48) F10F2CALCRLKMT2ACYP51A1
SCHEMBL6015139 0.90 F10 (0.47) F10F2FPR2
SCHEMBL3449287 0.88 F10 (0.51) F10F2FPR2CYP51A1
SCHEMBL3449017 0.88 F10 (0.51) F10F2FPR2CYP51A1
SCHEMBL3448801 0.88 F10 (0.51) F10F2FPR2CYP51A1
SCHEMBL6015113 0.88 F10 (0.52) F10F2
SCHEMBL6015111 0.88 F10 (0.52) F10F2
SCHEMBL6015075 0.86 F10 (0.51) F10F2CALCRLCYP3A4

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