SCHEMBL7791998

SCHEMBL7791998

CCNC(=O)NCc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)CC(C)(C)N)CSc3cc(C(F)(F)F)ccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.57
AGTR1 P30556 1/20 0.44
F7 P08709 9/20 0.38
F3 P13726 9/20 0.38
F2 P00734 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
XIAP P98170 1/20 0.37
THRB P10828 1/20 0.36
FPR1 P21462 2/20 0.36
FPR2 P25090 2/20 0.36
F10 P00742 2/20 0.35

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
SCHEMBL7786011 0.94 GHSR (0.57) GHSRAGTR1F7F3F2
SCHEMBL7794478 0.94 GHSR (0.56) GHSRAGTR1F7F3F2
SCHEMBL7791678 0.93 GHSR (0.57) GHSRAGTR1F7F3F2
SCHEMBL7791798 0.92 GHSR (0.67) GHSRAGTR1F7F3F2
SCHEMBL7785960 0.92 GHSR (0.47) GHSRAGTR1F7F3F2
SCHEMBL7791760 0.92 GHSR (0.55) GHSRAGTR1F7F3F2
SCHEMBL7795976 0.91 GHSR (0.64) GHSRAGTR1F7F3F2
SCHEMBL8331161 0.90 GHSR (0.56) GHSRAGTR1F7F3F2
SCHEMBL7791759 0.90 GHSR (0.56) GHSRAGTR1F7F3F2
SCHEMBL7792292 0.90 GHSR (0.51) GHSRAGTR1F7F3F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0659179-B1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO INC (US) 2001-11-21 EP claimed
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 claimed
WO-1994005634-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-03-17 WO claimed
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