SCHEMBL11091982

SCHEMBL11091982

Clc1ccc2c(c1)C(c1ccccn1)OCc1nncn1-2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.41
PDE4D Q08499 1/20 0.41
TRPM5 Q9NZQ8 1/20 0.38
AVPR1A P37288 13/20 0.36
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
GFER P55789 1/20 0.32
KCNH2 Q12809 3/20 0.32
AVPR2 P30518 2/20 0.32
OPRL1 P41146 1/20 0.32
SLC6A4 P31645 1/20 0.31

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
SCHEMBL11088793 0.84 OPRK1 (0.46) OPRK1PDE4DAVPR1AMAPTTHRB
SCHEMBL11092588 0.83 OPRK1 (0.43) OPRK1PDE4DAVPR1AMAPTTHRB
SCHEMBL11719260 0.72 AVPR1A (0.35) OPRK1PDE4DTRPM5AVPR1AKCNH2
SCHEMBL11089558 0.68 TRPM5 (0.43) OPRK1PDE4DTRPM5MAPTGFER
SCHEMBL11713116 0.68 KMT2A (0.34) OPRK1PDE4DTRPM5AVPR1AKCNH2
SCHEMBL7436839 0.68 OPRK1 (0.73) OPRK1PDE4DKCNH2
SCHEMBL11083893 0.66 MAPT (0.38) OPRK1PDE4DMAPTTHRBKCNH2
SCHEMBL11086276 0.63 TDP1 (0.46) OPRK1PDE4DAVPR1A
SCHEMBL11083553 0.63 BRD4 (0.47) OPRK1PDE4D
SCHEMBL11442659 0.63 OPRK1 (0.38) OPRK1PDE4D

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-4476133-A CENTRAL NERVOUS SYSTEM DISORDERS SHIONOGI & CO., LTD. (JP) 1984-10-09 US disclosed
US-4374842-A CENTRAL NERVOUS SYSTEM SHIONOGI & CO., LTD. (JP) 1983-02-22 US disclosed