SCHEMBL9821938

SCHEMBL9821938

CC(O)C(NC(=O)C(CCCCN)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccccc1)NC(=O)C(N)Cc1ccccc1)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(Cc1c[nH]cn1)C(=O)NCC(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.76
▸ IL23R Q5VWK5 1/20 0.62
▸ CXCR4 P61073 2/20 0.60
▸ CTSL P07711 3/20 0.60
▸ CTSS P25774 3/20 0.60
▸ CTSK P43235 3/20 0.60
▸ GLP1R P43220 8/20 0.59
▸ GCGR P47871 7/20 0.59
▸ CTSH P09668 1/20 0.59
▸ MC4R P32245 2/20 0.57
▸ MC5R P33032 2/20 0.57
▸ MC3R P41968 2/20 0.57
▸ MC1R Q01726 2/20 0.57
▸ GIPR P48546 4/20 0.57
▸ CALCA P06881 1/20 0.55

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
SCHEMBL9822027 1.00 C5AR1 (0.76) C5AR1IL23RCXCR4CTSLCTSS
SCHEMBL30301165 0.89 C5AR1 (0.67) C5AR1IL23RCXCR4CTSLCTSS
SCHEMBL29662252 0.89 C5AR1 (0.66) C5AR1CXCR4MC4R
SCHEMBL30800876 0.88 C5AR1 (0.72) C5AR1IL23RCXCR4CTSLCTSS
SCHEMBL30427315 0.88 C5AR1 (0.72) C5AR1IL23RCXCR4CTSLCTSS
SCHEMBL29697153 0.88 C5AR1 (0.65) C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL30577312 0.88 C5AR1 (0.63) C5AR1IL23RCXCR4CTSLCTSS
SCHEMBL29660777 0.88 C5AR1 (0.79) C5AR1IL23RCXCR4CTSLCTSS
SCHEMBL29660814 0.88 C5AR1 (0.79) C5AR1IL23RCXCR4CTSLCTSS
SCHEMBL16455231 0.88 C5AR1 (0.68) C5AR1IL23RCXCR4CTSLCTSS

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-4994554-A Treatment of immune disorders, tumor inhibition IMMUNOBIOLOGY RESEARCH INSTITUTE, INC. (US) 1991-02-19 — — US disclosed
WO-1989010735-A1 PROBURSIN IMMUNOBIOLOGY RESEARCH INSTITUTE, INC. (US) 1989-11-16 — — WO disclosed
EP-0342015-A2 Peptides, their use and pharmaceutical compositions containing them IMMUNOBIOLOGY RESEARCH INSTITUTE, INC. (US) 1989-11-15 — — EP disclosed
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