SCHEMBL10701549

SCHEMBL10701549

CC(=O)OC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C(=O)[C@H](N)Cc1ccc2ccccc2c1)[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 11/20 0.53
▸ NMUR1 Q9HB89 11/20 0.53
▸ OPRM1 P35372 7/20 0.47
▸ DRD1 P21728 1/20 0.47
▸ GNRHR P30968 1/20 0.47
▸ MRGPRX2 Q96LB1 1/20 0.47
▸ ABCB11 O95342 1/20 0.46
▸ OPRK1 P41145 6/20 0.45

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
SCHEMBL9645050 0.93 NMUR2 (0.47) NMUR2NMUR1OPRM1OPRK1
SCHEMBL10774369 0.88 NMUR2 (0.58) NMUR2NMUR1OPRM1DRD1GNRHR
SCHEMBL9353686 0.82 KISS1R (0.55) NMUR2NMUR1GNRHR
Hydrochloric Acid SCHEMBL11665303 0.80 NMUR2 (0.58) NMUR2NMUR1OPRM1OPRK1
SCHEMBL10784514 0.80 NMUR2 (0.56) NMUR2NMUR1
SCHEMBL11392131 0.77 C5AR1 (0.58) NMUR2NMUR1
SCHEMBL10779510 0.76 C5AR1 (0.58) NMUR2NMUR1GNRHR
SCHEMBL31447256 0.76 GNRHR (0.76) OPRM1DRD1GNRHRMRGPRX2ABCB11
SCHEMBL10784175 0.75 C5AR1 (0.56) NMUR2NMUR1
SCHEMBL31072502 0.74 NMUR2 (0.58) NMUR2NMUR1OPRM1

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
EP-0293632-A1 Delivery systems for the controlled administration of LHRH analogs SYNTEX (U.S.A.) INC. (US) 1988-12-07 — — EP disclosed
Send feedback