SCHEMBL7701595

SCHEMBL7701595

CN1CC(c2ncccc2Br)C1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
BRD4 O60885 1/20 0.35
KAT2B Q92831 1/20 0.35
PDE10A Q9Y233 3/20 0.34
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL12049784 0.82 OPRL1 (0.46) OPRM1OPRL1PDE10A
SCHEMBL15808187 0.79 CHRM4 (0.44) PDE10A
SCHEMBL29879632 0.79 OPRL1 (0.48) OPRM1OPRL1
SCHEMBL8233305 0.79 OPRL1 (0.48) OPRM1OPRL1
SCHEMBL18136226 0.79 KAT2B (0.38) KAT2BPDE10A
SCHEMBL2590271 0.77 PDE10A (0.46) OPRM1OPRL1PDE10A
SCHEMBL21780590 0.76 OPRM1 (0.47) OPRM1OPRL1PDE10A
SCHEMBL12049840 0.76 OPRL1 (0.46) OPRM1OPRL1
SCHEMBL12027329 0.74 OPRM1 (0.42) OPRM1OPRL1
Hydrochloric Acid SCHEMBL2595722 0.73 OPRM1 (0.41) OPRM1OPRL1

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-2011143365-A1 NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 WO disclosed