SCHEMBL6164066

SCHEMBL6164066

CC(C)(N)C(=O)NC(Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCC(n2c(-c3ccccc3)nc3ccccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 3/20 0.46
P2RY12 Q9H244 1/20 0.43
FPR2 P25090 2/20 0.42
GHSR Q92847 9/20 0.40
BRD4 O60885 1/20 0.40
CYP51A1 Q16850 1/20 0.39
OPRM1 P35372 1/20 0.39
CYP3A4 P08684 2/20 0.38

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
Hydrochloric Acid SCHEMBL6160815 0.99 CALCRL (0.45) CALCRLP2RY12FPR2GHSRBRD4
SCHEMBL6163764 0.92 CALCRL (0.54) CALCRLP2RY12FPR2GHSROPRM1
SCHEMBL6163760 0.92 CALCRL (0.54) CALCRLP2RY12FPR2GHSROPRM1
Hydrochloric Acid SCHEMBL6163192 0.91 CALCRL (0.54) CALCRLP2RY12FPR2GHSROPRM1
Hydrochloric Acid SCHEMBL6163197 0.91 CALCRL (0.54) CALCRLP2RY12FPR2GHSROPRM1
SCHEMBL6161281 0.85 P2RY12 (0.52) CALCRLP2RY12FPR2BRD4CYP3A4
SCHEMBL6161284 0.85 P2RY12 (0.52) CALCRLP2RY12FPR2BRD4CYP3A4
SCHEMBL6163107 0.85 CALCRL (0.64) CALCRLCYP3A4
SCHEMBL6162416 0.84 CALCRL (0.55) CALCRLP2RY12FPR2GHSROPRM1
SCHEMBL6162412 0.84 CALCRL (0.55) CALCRLP2RY12FPR2GHSROPRM1

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-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP claimed