SCHEMBL6690540

SCHEMBL6690540

CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCN2C=CC(=O)[C@]2(Cc2ccc(F)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 6/20 0.45
P2RX7 Q99572 1/20 0.41
PPARA Q07869 2/20 0.41
UGCG Q16739 6/20 0.39
PPARG P37231 1/20 0.38
CTSS P25774 1/20 0.38
CCKBR P32239 1/20 0.37
KLK7 P49862 1/20 0.37
KLK5 Q9Y337 1/20 0.37
CYP3A4 P08684 2/20 0.36
PABPC1 P11940 1/20 0.36

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
SCHEMBL6695253 0.89 GHSR (0.56) GHSRP2RX7UGCGCCKBRCYP3A4
SCHEMBL6693164 0.89 GHSR (0.56) GHSRP2RX7UGCGCCKBRCYP3A4
SCHEMBL6693161 0.89 GHSR (0.56) GHSRP2RX7UGCGCCKBRCYP3A4
SCHEMBL5229183 0.88 GHSR (0.45) GHSRP2RX7PPARAUGCGPPARG
SCHEMBL5229912 0.86 GHSR (0.45) GHSRP2RX7PPARAUGCGPPARG
SCHEMBL6705735 0.85 GHSR (0.42) GHSRP2RX7PPARAUGCGPPARG
SCHEMBL6695743 0.85 GHSR (0.42) GHSRP2RX7PPARAUGCGPPARG
SCHEMBL6691999 0.84 GHSR (0.42) GHSRP2RX7PPARAUGCGPPARG
SCHEMBL6691512 0.83 GHSR (0.42) GHSRP2RX7PPARAUGCGPPARG
SCHEMBL7903082 0.82 GHSR (0.47) GHSRP2RX7PPARAUGCGPPARG

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
EP-1002802-B1 Dipeptide derivatives as growth hormone secretagogues PFIZER PROD INC (US) 2004-12-08 EP disclosed
US-6194578-B1 GROWTH HORMONE SECRETAGOGUES; USEFUL FOR PROPHYLAXIS AND THERAPY OF OSTEOPOROSIS AND/OR FRAILTY, INSULIN RESISTANCE IN MAMMALS, CONGESTIVE HEART FAILURE, OBESITY, ACCELERATING BONE FRACTURE REPAIR REDUCING CACHEXIA AND PROTEIN LOSS PFIZER INC. 2001-02-27 US disclosed