SCHEMBL8330701

SCHEMBL8330701

CC(C)(NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3CNC(=O)NCC(=O)OCc3ccccc3)cc2)C1=O

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.67
PTGER1 P34995 3/20 0.48
PTGER3 P43115 3/20 0.48
PTGER4 P35408 2/20 0.48
PTGER2 P43116 1/20 0.48
XIAP P98170 5/20 0.48
NPY1R P25929 4/20 0.45
AGTR1 P30556 1/20 0.44
AVPR2 P30518 1/20 0.43
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
TBXA2R P21731 1/20 0.41
PTGFR P43088 1/20 0.41
PTGIR P43119 1/20 0.41
PTGDR Q13258 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
SCHEMBL8328518 0.97 GHSR (0.66) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL7785743 0.95 GHSR (0.69) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL8330387 0.94 GHSR (0.76) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL8330710 0.93 GHSR (0.76) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL8331869 0.93 GHSR (0.76) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL8329246 0.93 GHSR (0.69) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL8330101 0.93 GHSR (0.66) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL8333061 0.92 GHSR (0.65) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL8326513 0.91 GHSR (0.66) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL8331766 0.91 GHSR (0.63) GHSRPTGER1PTGER3PTGER4PTGER2

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-5968924-A HAVE THE ABILITY TO STIMULATE THE RELEASE OF NATURAL OR ENDOGENOUS GROWTH HORMONE; TREATMENT OF OBESITY, OSTEOPOROSIS MERCK & CO., INC. (US) 1999-10-19 US disclosed
WO-1994005634-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-03-17 WO disclosed