SCHEMBL14282939

SCHEMBL14282939

CCCC(=O)[C@H](CS)NOC(=O)CN1CCC(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.46
NPY2R P49146 1/20 0.38
PRCP P42785 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
MGLL Q99685 1/20 0.37

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
SCHEMBL14282906 0.91 PRCP (0.44) BACE1NPY2RPRCP
SCHEMBL14282923 0.80 OPRD1 (0.41)
SCHEMBL14282903 0.79 CHRM2 (0.47) CYP2D6
SCHEMBL14282927 0.74 BACE1 (0.52) BACE1NPY2RTSHR
SCHEMBL14282925 0.71 OPRD1 (0.45)
SCHEMBL3662230 0.71 BACE1 (0.58) BACE1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL4253158 0.71 PRCP (0.55) BACE1NPY2RPRCP
SCHEMBL4695183 0.69 PRCP (0.52) BACE1PRCPCYP1A2CYP3A4CYP2D6
SCHEMBL14198386 0.68 BACE1 (0.50) BACE1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL14282940 0.68 ALDH1A1 (0.52) NPY2RPRCP

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
US-7317026-B2 Sleep disorders; side effect reduction ; antihistamine antagonist HYPNION, INC. (US) 2008-01-08 US disclosed