SCHEMBL4651007

SCHEMBL4651007

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HAT1 O14929 2/20 0.45
▸ EP300 Q09472 2/20 0.45
▸ MTNR1A P48039 3/20 0.44
▸ MTNR1B P49286 3/20 0.44
▸ TDP1 Q9NUW8 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 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
SCHEMBL4651881 0.92 CTSD (0.43) MTNR1AMTNR1BTDP1CNR1CNR2
SCHEMBL4651833 0.90 CNR1 (0.47) HAT1EP300TDP1KMT2ACNR1
SCHEMBL8127573 0.85 MTNR1A (0.42) HAT1EP300MTNR1AMTNR1BKMT2A
SCHEMBL4651777 0.84 CNR1 (0.48) CNR1CNR2
SCHEMBL8127689 0.83 MTNR1A (0.53) MTNR1AMTNR1BTDP1KMT2A
SCHEMBL4652031 0.82 NPY1R (0.48) CNR1CNR2
SCHEMBL8120358 0.80 CNR1 (0.51) MTNR1AMTNR1BCNR1CNR2
SCHEMBL4650707 0.79 NPY1R (0.43) CNR1
SCHEMBL4651789 0.78 TRPV1 (0.43) MTNR1AMTNR1BKMT2A
SCHEMBL4651537 0.78 CYP3A4 (0.46) KMT2A

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
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
US-6114336-A Cosmetic composition containing a neuropeptide Y receptor antagonist SANOFI (FR) 2000-09-05 — — US 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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