SCHEMBL8910031

SCHEMBL8910031

COc1cc(OCC(O)CN2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)c(C(=O)CCc2ccccc2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 17/20 0.63
▸ KCNH2 Q12809 3/20 0.62

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
SCHEMBL8121398 0.89 KCNH2 (0.76) ABCB1KCNH2
SCHEMBL8122448 0.87 ABCB1 (0.75) ABCB1
SCHEMBL8115469 0.83 ABCB1 (0.70) ABCB1KCNH2
SCHEMBL8117499 0.82 ABCB1 (0.65) ABCB1
SCHEMBL8110927 0.82 ABCB1 (0.71) ABCB1KCNH2
SCHEMBL8911001 0.79 ABCB1 (0.60) ABCB1KCNH2
SCHEMBL8122651 0.77 KCNH2 (1.00) ABCB1KCNH2
SCHEMBL8118006 0.76 ABCB1 (0.56) ABCB1KCNH2
SCHEMBL29374303 0.76 ABCB1 (1.00) ABCB1KCNH2
SCHEMBL1330966 0.74 ABCB1 (1.00) ABCB1KCNH2

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
US-5622953-A DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG BASF AKTIENGESELLSCHAFT (DE) 1997-04-22 — — US disclosed
EP-0691962-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1996-01-17 — — EP disclosed
WO-1994022842-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1994-10-13 — — WO disclosed
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