SCHEMBL6162972

SCHEMBL6162972

CC(C)(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC(n2c(-c3ccccc3)nc3cccnc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 1/20 0.48
P2RY12 Q9H244 1/20 0.47
GHSR Q92847 12/20 0.45
OPRM1 P35372 1/20 0.45
FPR2 P25090 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ACE P12821 1/20 0.42

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
SCHEMBL6162963 1.00 CALCRL (0.48) CALCRLP2RY12GHSROPRM1FPR2
Hydrochloric Acid SCHEMBL6161679 0.99 CALCRL (0.48) CALCRLP2RY12GHSROPRM1FPR2
Hydrochloric Acid SCHEMBL6161687 0.99 CALCRL (0.48) CALCRLP2RY12GHSROPRM1FPR2
SCHEMBL6163760 0.90 CALCRL (0.54) CALCRLP2RY12GHSROPRM1FPR2
SCHEMBL6163764 0.90 CALCRL (0.54) CALCRLP2RY12GHSROPRM1FPR2
SCHEMBL6163588 0.89 MEN1 (0.49) CALCRLP2RY12FPR2MEN1KMT2A
SCHEMBL6163594 0.89 MEN1 (0.49) CALCRLP2RY12FPR2MEN1KMT2A
Hydrochloric Acid SCHEMBL6163197 0.89 CALCRL (0.54) CALCRLP2RY12GHSROPRM1FPR2
Hydrochloric Acid SCHEMBL6163192 0.89 CALCRL (0.54) CALCRLP2RY12GHSROPRM1FPR2
SCHEMBL6164090 0.86 CALCRL (0.60) CALCRLGHSROPRM1FPR2

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