SCHEMBL9539144

SCHEMBL9539144

CCCCCCCCCCCC(Cc1ccc(OCc2ccccc2)cc1)(OC(N)=O)C(=O)NC(CO)C(O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.45
NPY5R Q15761 1/20 0.41
REN P00797 1/20 0.41
LPAR1 Q92633 2/20 0.40
LPAR3 Q9UBY5 1/20 0.40

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
SCHEMBL9539141 0.80 ITGB3 (0.46) ENPP2NPY5RLPAR1LPAR3
SCHEMBL9539370 0.79 ENPP2 (0.43) ENPP2NPY5RRENLPAR1
SCHEMBL9539374 0.79 TACR3 (0.45) ENPP2NPY5RRENLPAR1LPAR3
SCHEMBL7670973 0.78 NPY5R (0.46) NPY5R
SCHEMBL9539148 0.73 BLM (0.37) NPY5R
SCHEMBL7670805 0.67 TACR1 (0.44) NPY5R
SCHEMBL28769993 0.67 PARP10 (0.56)
SCHEMBL7773484 0.66 ALDH1A1 (0.71)
SCHEMBL8341808 0.66 ALDH1A1 (0.71)
SCHEMBL7773486 0.66 ALDH1A1 (0.71)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993003721-A1 CHOLECYSTOKININ ANTAGONISTS USEFUL FOR TREATING DEPRESSION WARNER-LAMBERT COMPANY (US) 1993-03-04 WO disclosed