SCHEMBL8537451

SCHEMBL8537451

COCC1(COC)Oc2ccc(C#N)cc2[C@@H](Nc2ccc(=O)n(C)c2)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 7/20 0.41
ABCB1 P08183 12/20 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
SCHEMBL8540257 0.89 ABCC9 (0.41) ABCC9ABCB1
SCHEMBL8540119 0.89 ABCC9 (0.39) ABCC9ABCB1
SCHEMBL8542064 0.87 ABCB1 (0.41) ABCC9ABCB1
SCHEMBL8535488 0.86 ABCC9 (0.47) ABCC9ABCB1
SCHEMBL8536420 0.83 ABCC9 (0.42) ABCC9ABCB1
SCHEMBL8535237 0.83 ABCC9 (0.42) ABCC9ABCB1
Water SCHEMBL8539489 0.83 ABCC9 (0.42) ABCC9ABCB1
SCHEMBL8539815 0.83 ABCB1 (0.43) ABCC9ABCB1
SCHEMBL8535842 0.83 ABCC9 (0.43) ABCC9ABCB1
SCHEMBL8538433 0.81 ABCB1 (0.45) 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 5 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
EP-0639073-A1 BIOLOGICALLY ACTIVE UREIDO DERIVATIVES USEFUL AS ANTIMETASTATIC AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1995-02-22 EP claimed
WO-1994020095-A1 BIOLOGICALLY ACTIVE UREIDO DERIVATIVES USEFUL AS ANTIMETASTATIC AGENTS FARMITALIA CARLO ERBA S.R.L. (IT) 1994-09-15 WO 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