SCHEMBL7753050

SCHEMBL7753050

N=C(N)NCCCC[C@H](C(N)=O)N(Cc1ccc(O)cc1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 9/20 0.43
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
NPY4R P50391 4/20 0.38
NPY5R Q15761 4/20 0.38
NPY2R P49146 3/20 0.38
NPFFR1 Q9GZQ6 2/20 0.38
NPFFR2 Q9Y5X5 2/20 0.38
EPOR P19235 3/20 0.38
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL8126197 1.00 NPY1R (0.43) NPY1RCNR1CNR2NPY4RNPY5R
SCHEMBL1593414 0.97 NPY1R (0.42) NPY1RCNR1CNR2NPY4RNPY5R
SCHEMBL4650863 0.94 NPY1R (0.40) NPY1RCNR1CNR2NPY4RNPY5R
SCHEMBL9195693 0.91 NPY1R (0.42) NPY1RCNR1CNR2NPY4RNPY5R
SCHEMBL30905434 0.91 CNR1 (0.41) CNR1CNR2EPORTDP1
SCHEMBL1389118 0.91 CNR1 (0.41) CNR1CNR2EPORTDP1
SCHEMBL4651831 0.90 CNR1 (0.42) NPY1RCNR1CNR2EPORTDP1
SCHEMBL1388356 0.89 TDP1 (0.37) NPY1RCNR1CNR2EPORTDP1
Hydrochloric Acid SCHEMBL8120910 0.89 CNR1 (0.41) NPY1RCNR1CNR2EPORTDP1
SCHEMBL8119315 0.89 NPY1R (0.42) NPY1RCNR1CNR2NPY4RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 EP disclosed