SCHEMBL8122448

SCHEMBL8122448

COc1cc(OCC(O)CN2CCN(Cc3ccccc3)CC2)c(C(=O)CCc2ccccc2)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 20/20 0.75

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 0.90 KCNH2 (0.76) ABCB1
SCHEMBL8115469 0.87 ABCB1 (0.70) ABCB1
SCHEMBL8910031 0.87 ABCB1 (0.63) ABCB1
SCHEMBL8117499 0.87 ABCB1 (0.65) ABCB1
SCHEMBL29374303 0.86 ABCB1 (1.00) ABCB1
SCHEMBL8110927 0.84 ABCB1 (0.71) ABCB1
SCHEMBL8911001 0.83 ABCB1 (0.60) ABCB1
SCHEMBL31429551 0.82 ABCB1 (0.90) ABCB1
SCHEMBL8118006 0.81 ABCB1 (0.56) ABCB1
SCHEMBL9037392 0.78 ALDH1A1 (0.58) ABCB1

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
EP-0691962-B1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AG (DE) 2000-09-13 — — EP disclosed
US-5622953-A DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG BASF AKTIENGESELLSCHAFT (DE) 1997-04-22 — — US disclosed
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