SCHEMBL6163764

SCHEMBL6163764

CC(C)(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC(n2c(-c3ccccc3)nc3ccccc32)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 1/20 0.54
P2RY12 Q9H244 1/20 0.49
GHSR Q92847 12/20 0.47
OPRM1 P35372 1/20 0.47
FPR2 P25090 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ACE P12821 1/20 0.45

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
SCHEMBL6163760 1.00 CALCRL (0.54) CALCRLP2RY12GHSROPRM1FPR2
Hydrochloric Acid SCHEMBL6163197 0.99 CALCRL (0.54) CALCRLP2RY12GHSROPRM1FPR2
Hydrochloric Acid SCHEMBL6163192 0.99 CALCRL (0.54) CALCRLP2RY12GHSROPRM1FPR2
SCHEMBL6162412 0.93 CALCRL (0.55) CALCRLP2RY12GHSROPRM1FPR2
SCHEMBL6162416 0.93 CALCRL (0.55) CALCRLP2RY12GHSROPRM1FPR2
Hydrochloric Acid SCHEMBL6162813 0.92 CALCRL (0.55) CALCRLP2RY12GHSROPRM1FPR2
Hydrochloric Acid SCHEMBL6162805 0.92 CALCRL (0.55) CALCRLP2RY12GHSROPRM1FPR2
SCHEMBL6164066 0.92 CALCRL (0.46) CALCRLP2RY12GHSROPRM1FPR2
SCHEMBL6161284 0.91 P2RY12 (0.52) CALCRLP2RY12FPR2MEN1KMT2A
SCHEMBL6161281 0.91 P2RY12 (0.52) CALCRLP2RY12FPR2MEN1KMT2A

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