SCHEMBL4651881

SCHEMBL4651881

COc1cccc(CN[C@@H](CCCNC(=N)N)C(=O)NC(=O)C(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MTNR1A P48039 2/20 0.42
▸ MTNR1B P49286 2/20 0.42
▸ BCHE P06276 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ TLR2 O60603 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CASR P41180 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MC4R P32245 1/20 0.41
▸ MC3R P41968 1/20 0.41
▸ MC1R Q01726 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
SCHEMBL4651007 0.92 HAT1 (0.45) TDP1MTNR1AMTNR1BCNR1CNR2
SCHEMBL4651777 0.90 CNR1 (0.48) CNR1CNR2TLR2ALDH1A1CASR
SCHEMBL4650707 0.87 NPY1R (0.43) CNR1TLR2MC4RMC3RMC1R
SCHEMBL4651789 0.86 TRPV1 (0.43) MTNR1AMTNR1BPOLBMC4RMC3R
SCHEMBL4651537 0.86 CYP3A4 (0.46) TLR2ALDH1A1MC4RMC3RMC1R
SCHEMBL8129753 0.84 BCHE (0.40) CTSDTDP1MTNR1AMTNR1BBCHE
SCHEMBL4651833 0.84 CNR1 (0.47) TDP1CNR1CNR2ALDH1A1SMN1; SMN2
SCHEMBL4651114 0.83 NPY1R (0.45) TLR2MC4RMC3RMC1R
SCHEMBL5057899 0.82 NPY1R (0.53) —
SCHEMBL1388313 0.81 NPY1R (0.44) CNR1TLR2MC4RMC3RMC1R

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 7 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
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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