SCHEMBL5821025

SCHEMBL5821025

Brc1ccc(I)cc1.OC1(c2ccc(Br)cc2)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.44
OPRK1 P41145 3/20 0.44
OPRD1 P41143 2/20 0.44
OPRL1 P41146 2/20 0.44
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
DRD2 P14416 3/20 0.36
DRD3 P35462 2/20 0.36
DRD4 P21917 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
NR1I2 O75469 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL5751317 0.98 OPRM1 (0.43) OPRM1OPRK1OPRD1OPRL1CA12
SCHEMBL1740643 0.90 OPRM1 (0.50) OPRM1OPRK1OPRD1OPRL1CA12
SCHEMBL15142925 0.90 DRD2 (0.41) OPRM1OPRK1OPRL1DRD2DRD3
SCHEMBL15142924 0.88 HRH3 (0.42) OPRM1OPRK1OPRL1DRD2DRD3
SCHEMBL1738752 0.88 OPRM1 (0.49) OPRM1OPRK1OPRD1OPRL1CA12
SCHEMBL748761 0.86 OPRM1 (0.50) OPRM1OPRK1OPRD1OPRL1CA12
SCHEMBL14865540 0.86 DRD2 (0.41) OPRM1OPRK1OPRL1DRD2DRD3
SCHEMBL12336881 0.81 DRD2 (0.43) OPRM1OPRK1OPRD1OPRL1DRD2
SCHEMBL18296429 0.81 DRD2 (0.43) OPRM1OPRK1OPRD1OPRL1DRD2
SCHEMBL14562542 0.81 DRD2 (0.43) OPRM1OPRK1OPRD1OPRL1DRD2

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-2006106416-A1 PYRIDIL-LACTAMS AND THEIR USE 5 -HTl RECEPTORS LIGAN PFIZER PRODUCTS INC. (US) 2006-10-12 WO disclosed