SCHEMBL8535803

SCHEMBL8535803

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

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 13/20 0.43
ABCB1 P08183 6/20 0.41

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
SCHEMBL8535597 0.85 ABCB1 (0.41) ABCC9ABCB1
SCHEMBL8541314 0.85 OPRL1 (0.33) ABCC9
SCHEMBL8541325 0.85 OPRL1 (0.33) ABCC9
SCHEMBL8541306 0.85 OPRL1 (0.33) ABCC9
SCHEMBL8535822 0.82 ABCB1 (0.46) ABCC9ABCB1
SCHEMBL8535488 0.82 ABCC9 (0.47) ABCC9ABCB1
SCHEMBL8535406 0.81 ABCC9 (0.45) ABCC9ABCB1
SCHEMBL8541404 0.81 MAPT (0.39)
SCHEMBL8541389 0.81 MAPT (0.39)
SCHEMBL8536420 0.81 ABCC9 (0.42) ABCC9ABCB1

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