SCHEMBL6164093

SCHEMBL6164093

CC(C)(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC(n2c(=O)[nH]c3cccnc32)CC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 8/20 0.60
CYP3A4 P08684 5/20 0.48
GHSR Q92847 8/20 0.47
OPRM1 P35372 1/20 0.47
TNKS O95271 1/20 0.45
PARP1 P09874 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
FPR2 P25090 1/20 0.44

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
SCHEMBL6164090 1.00 CALCRL (0.60) CALCRLCYP3A4GHSROPRM1TNKS
Hydrochloric Acid SCHEMBL6159774 0.99 CALCRL (0.60) CALCRLCYP3A4GHSROPRM1TNKS
Hydrochloric Acid SCHEMBL6159779 0.99 CALCRL (0.60) CALCRLCYP3A4GHSROPRM1TNKS
SCHEMBL6163598 0.89 CALCRL (0.75) CALCRLCYP3A4GHSROPRM1
SCHEMBL6163599 0.89 CALCRL (0.75) CALCRLCYP3A4GHSROPRM1
SCHEMBL6165822 0.89 CALCRL (0.55) CALCRLCYP3A4FPR2
SCHEMBL6165816 0.89 CALCRL (0.55) CALCRLCYP3A4FPR2
Hydrochloric Acid SCHEMBL6161084 0.87 CALCRL (0.63) CALCRLCYP3A4GHSROPRM1
Hydrochloric Acid SCHEMBL6161092 0.87 CALCRL (0.63) CALCRLCYP3A4GHSROPRM1
SCHEMBL6162963 0.86 CALCRL (0.48) 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