SCHEMBL8541306

SCHEMBL8541306

COCC1(COC)Oc2ccc(F)cc2[C@H](Nc2ccc(Cl)nn2)[C@H]1O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.33
ABCC9 O60706 1/20 0.32
KCNE1 P15382 3/20 0.32
KCNQ1 P51787 3/20 0.32
TRPV1 Q8NER1 4/20 0.32
CHRM4 P08173 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8541314 1.00 OPRL1 (0.33) OPRL1ABCC9KCNE1KCNQ1TRPV1
SCHEMBL8541325 1.00 OPRL1 (0.33) OPRL1ABCC9KCNE1KCNQ1TRPV1
SCHEMBL8535803 0.85 ABCC9 (0.43) ABCC9
SCHEMBL8541389 0.84 MAPT (0.39) MEN1NPC1RAB9AKMT2A
SCHEMBL8541397 0.84 MAPT (0.39) MEN1NPC1RAB9AKMT2A
SCHEMBL8541404 0.84 MAPT (0.39) MEN1NPC1RAB9AKMT2A
SCHEMBL8539395 0.80 TRPV1 (0.36) ABCC9KCNE1KCNQ1TRPV1
SCHEMBL8539369 0.80 TRPV1 (0.36) ABCC9KCNE1KCNQ1TRPV1
SCHEMBL8539386 0.80 TRPV1 (0.36) ABCC9KCNE1KCNQ1TRPV1
SCHEMBL8536391 0.80 TRPV1 (0.39) KCNE1KCNQ1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0677519-A1 CHROMAN DERIVATIVE AND MEDICINAL USE THEREOF Japan Tobacco Inc. (JP) 1995-10-18 EP claimed
US-5719155-A CARDIOVASCULAR DISORDERS JAPAN TOBACCO INC. (JP) 1998-02-17 US disclosed
EP-0677519-A1 CHROMAN DERIVATIVE AND MEDICINAL USE THEREOF Japan Tobacco Inc. (JP) 1995-10-18 EP disclosed