SCHEMBL30595218

SCHEMBL30595218

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 2/20 0.64
▸ PTGS1 P23219 1/20 0.61
▸ C5AR1 P21730 2/20 0.58
▸ NMBR P28336 2/20 0.56
▸ GRPR P30550 2/20 0.56
▸ OPRD1 P41143 2/20 0.55
▸ KISS1R Q969F8 2/20 0.55
▸ ABCC2 Q92887 1/20 0.54
▸ CXCR4 P61073 2/20 0.52
▸ F2 P00734 2/20 0.52
▸ TACR1 P25103 1/20 0.52
▸ CXCL8 P10145 1/20 0.51

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
SCHEMBL29619597 0.94 C5AR1 (0.67) GNRHRPTGS1C5AR1NMBRGRPR
SCHEMBL30362528 0.93 C5AR1 (0.55) GNRHRPTGS1C5AR1NMBRGRPR
SCHEMBL29584427 0.91 PTGS1 (0.71) GNRHRPTGS1C5AR1NMBRGRPR
SCHEMBL29459909 0.91 C5AR1 (0.67) GNRHRPTGS1C5AR1KISS1RCXCR4
SCHEMBL31351848 0.90 C5AR1 (0.68) GNRHRPTGS1C5AR1NMBRGRPR
SCHEMBL29683494 0.90 C5AR1 (0.57) GNRHRPTGS1C5AR1NMBRGRPR
SCHEMBL29391299 0.90 C5AR1 (0.68) GNRHRPTGS1C5AR1CXCR4
SCHEMBL23839899 0.89 C5AR1 (0.64) GNRHRPTGS1C5AR1NMBRGRPR
SCHEMBL29833875 0.88 PTGS1 (0.75) GNRHRPTGS1NMBRGRPRKISS1R
SCHEMBL29833831 0.88 PTGS1 (0.75) GNRHRPTGS1NMBRGRPRKISS1R

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-116808177-A Composite fish spawning agent and application thereof in artificial spawning of high-body Seriola quinquefoil 中国科学院水生生物研究所 2023-09-29 — — CN disclosed
Send feedback