SCHEMBL30341827

SCHEMBL30341827

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CC(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.43
OPRK1 P41145 6/20 0.43
NMUR2 Q9GZQ4 2/20 0.43
NMUR1 Q9HB89 2/20 0.43
CXCR4 P61073 3/20 0.42
NTSR2 O95665 3/20 0.42
NTSR1 P30989 3/20 0.42
SORT1 Q99523 1/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 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
SCHEMBL2182409 1.00 OPRM1 (0.43) OPRM1OPRK1NMUR2NMUR1CXCR4
SCHEMBL29425244 1.00 OPRM1 (0.43) OPRM1OPRK1NMUR2NMUR1CXCR4
Hydrochloric Acid SCHEMBL11594041 0.99 OPRM1 (0.43) OPRM1OPRK1NMUR2NMUR1CXCR4
Hydrochloric Acid SCHEMBL11591298 0.99 OPRM1 (0.43) OPRM1OPRK1NMUR2NMUR1CXCR4
Hydrochloric Acid SCHEMBL11581218 0.99 OPRM1 (0.43) OPRM1OPRK1NMUR2NMUR1CXCR4
Acetic Acid SCHEMBL1307421 0.97 OPRM1 (0.44) OPRM1OPRK1NMUR2NMUR1CXCR4
Acetic Acid SCHEMBL2268904 0.97 OPRM1 (0.44) OPRM1OPRK1NMUR2NMUR1CXCR4
Acetic Acid SCHEMBL20769309 0.95 OPRM1 (0.47) OPRM1OPRK1NMUR2NMUR1NTSR2
Acetic Acid SCHEMBL20769302 0.95 OPRM1 (0.47) OPRM1OPRK1NMUR2NMUR1NTSR2
Acetic Acid SCHEMBL2193528 0.95 OPRM1 (0.47) OPRM1OPRK1NMUR2NMUR1NTSR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110386964-B Solid-liquid synthesis method of leuprorelin 深圳市健元医药科技有限公司 2023-04-07 CN disclosed