SCHEMBL9103788

SCHEMBL9103788

C[C@@H](O)CNC(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2)C1=O

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.53
AGTR1 P30556 1/20 0.53
XIAP P98170 10/20 0.49
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
KCNH2 Q12809 1/20 0.44
PTGER1 P34995 3/20 0.43
PTGER3 P43115 3/20 0.43
PTGER2 P43116 1/20 0.43
PTGER4 P35408 2/20 0.43
TBXA2R P21731 1/20 0.43
PTGFR P43088 1/20 0.43
PTGIR P43119 1/20 0.43
PTGDR Q13258 1/20 0.43

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
SCHEMBL9106313 0.91 GHSR (0.56) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9108348 0.90 GHSR (0.53) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9101307 0.89 GHSR (0.53) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9107024 0.87 GHSR (0.53) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9024337 0.87 GHSR (0.58) GHSRAGTR1XIAP
SCHEMBL9025207 0.86 GHSR (0.58) GHSRAGTR1XIAP
SCHEMBL9025480 0.86 GHSR (0.57) GHSRAGTR1XIAP
SCHEMBL9405641 0.86 GHSR (0.57) GHSRAGTR1XIAP
SCHEMBL7795408 0.85 GHSR (0.56) GHSRAGTR1XIAP
SCHEMBL9024460 0.85 GHSR (0.55) GHSRAGTR1XIAP

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
US-5434261-A Benzo-fused lactams promote release of growth hormone MERCK & CO., INC. (US) 1995-07-18 US disclosed
WO-1995003289-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-02-02 WO disclosed