SCHEMBL4653096

SCHEMBL4653096

NC(=O)[C@@H](CCCNc1ncc[nH]1)N(Cc1cc(Cl)c(N)c(Cl)c1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 9/20 0.33
▸ ITGA2B P08514 9/20 0.33
▸ ITGAV P06756 8/20 0.33
▸ PTGES O14684 1/20 0.30
▸ ADRA2A P08913 1/20 0.30
▸ ADRA2C P18825 1/20 0.30
▸ ADRA1D P25100 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ ADRA1B P35368 1/20 0.30
▸ ADRB2 P07550 1/20 0.30
▸ ROCK2 O75116 1/20 0.30
▸ CDC42 P60953 1/20 0.30
▸ ROCK1 Q13464 1/20 0.30
▸ PKN2 Q16513 1/20 0.30

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
SCHEMBL8112600 0.90 ITGB3 (0.33) ITGB3ITGA2BITGAV
SCHEMBL7750605 0.87 NPY1R (0.33) ITGB3ITGA2BITGAV
SCHEMBL8127522 0.85 MEN1 (0.32) ITGB3ITGA2BITGAV
SCHEMBL7751629 0.84 NR1H3 (0.40) ITGB3ITGA2BITGAV
Iodide SCHEMBL8585363 0.84 NPY1R (0.37) ITGB3ITGA2B
SCHEMBL4650701 0.81 CNR1 (0.35) ADRB2
SCHEMBL9196210 0.80 TACR1 (0.36) —
SCHEMBL8114739 0.77 MEN1 (0.39) —
Trifluoroacetic Acid SCHEMBL8584075 0.77 NPY1R (0.36) —
SCHEMBL4653094 0.77 NPY1R (0.47) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 — — EP claimed
EP-1093803-B1 Cosmetic composition comprising an antagonist of the neuropeptide Y receptor SANOFI AVENTIS (FR) 2008-09-17 — — EP disclosed
EP-0838217-B1 Cosmetic composition containing neuropeptide Y receptor antagonist SANOFI SYNTHELABO (FR) 2003-01-15 — — EP disclosed
US-6313128-B1 CAN BE USED AS LYPOLYSIS/LYPOGENESIS REGULATORS IN THE SKIN WITHOUT, INTERFERRING WITH THE SKIN'S NATURAL FUNCTIONS; FOR THERAPY OF SABORRHEA AND ACNE SANOFI-SYNTHELABO (FR) 2001-11-06 — — US disclosed
EP-1132463-A2 Cosmetic composition comprising an antagonist of the neuropeptide Y receptor SANOFI-SYNTHELABO (FR) 2001-09-12 — — EP disclosed
EP-1093803-A2 Cosmetic composition comprising antagonist of the neuropeptide Y receptor SANOFI-SYNTHELABO (FR) 2001-04-25 — — EP disclosed
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 — — EP disclosed
EP-0838217-A2 Cosmetic composition containing neuropeptide Y receptor antagonist SANOFI (FR) 1998-04-29 — — EP disclosed
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