SCHEMBL7399209

SCHEMBL7399209

CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)C1N(S(C)(=O)=O)c2ccccc2C12CCNCC2

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 18/20 0.47
OPRM1 P35372 1/20 0.47
ACE P12821 1/20 0.43
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL7401537 0.92 GHSR (0.45) GHSROPRM1ACEMMP2MMP9
SCHEMBL7400330 0.88 GHSR (0.48) GHSROPRM1ACE
SCHEMBL8343307 0.84 ITGB2 (0.50) GHSRACEMMP2MMP9
SCHEMBL9395015 0.81 GHSR (0.52) GHSROPRM1ACE
SCHEMBL9389891 0.80 GHSR (0.46) GHSROPRM1ACE
SCHEMBL8346758 0.80 TACR1 (0.51) GHSRMMP2MMP9
SCHEMBL8469385 0.80 GHSR (0.56) GHSR
SCHEMBL8346990 0.80 TACR1 (0.53)
SCHEMBL9391064 0.79 GHSR (0.50) GHSROPRM1ACE
SCHEMBL7500323 0.79 GHSR (0.55) GHSR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994013696-A1 SPIRO PIPERIDINES AND HOMOLOGS WHICH PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-06-23 WO claimed
WO-1994013696-A1 SPIRO PIPERIDINES AND HOMOLOGS WHICH PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-06-23 WO disclosed