SCHEMBL9616907

SCHEMBL9616907

CC(C)CC(N)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 9/20 0.43
▸ OPRM1 P35372 6/20 0.43
▸ NPY4R P50391 6/20 0.42
▸ NPY1R P25929 4/20 0.42
▸ NPY2R P49146 2/20 0.42
▸ NPY5R Q15761 2/20 0.42
▸ CXCR4 P61073 1/20 0.42
▸ ACE P12821 2/20 0.42
▸ REN P00797 1/20 0.42

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
SCHEMBL9616909 1.00 OPRK1 (0.43) OPRK1OPRM1NPY4RNPY1RNPY2R
SCHEMBL11644393 1.00 OPRK1 (0.43) OPRK1OPRM1NPY4RNPY1RNPY2R
SCHEMBL31481586 0.97 OPRK1 (0.47) OPRK1OPRM1NPY4RNPY1RNPY2R
SCHEMBL30118984 0.96 OPRK1 (0.47) OPRK1OPRM1CXCR4
SCHEMBL31467772 0.95 EPHA2 (0.41) OPRK1OPRM1NPY4RNPY1RNPY2R
SCHEMBL30909420 0.91 OPRK1 (0.53) OPRK1OPRM1CXCR4
SCHEMBL30909432 0.91 OPRK1 (0.53) OPRK1OPRM1CXCR4
SCHEMBL30909422 0.91 OPRK1 (0.53) OPRK1OPRM1CXCR4
SCHEMBL30909428 0.91 OPRK1 (0.53) OPRK1OPRM1CXCR4
SCHEMBL30909423 0.91 OPRK1 (0.53) OPRK1OPRM1CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-H1056-H Luteinizing hormone-releasing hormone RHONE-POULENC CHIMIE, SERVICE BREVETS CHIMIE (FR) 1992-05-05 — — US claimed
US-H1056-H Luteinizing hormone-releasing hormone RHONE-POULENC CHIMIE, SERVICE BREVETS CHIMIE (FR) 1992-05-05 — — US disclosed
EP-0399885-A1 Tripeptide, its process of preparation and its use RHONE-POULENC CHIMIE (FR) 1990-11-28 — — EP disclosed
Send feedback