SCHEMBL8790185

SCHEMBL8790185

CCc1cc(OCCCNCCc2ccc(OC)c(OC)c2)ccc1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 5/20 0.52
▸ ADRB2 P07550 3/20 0.41
▸ ABCB1 P08183 3/20 0.40
▸ ADRB1 P08588 1/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CNR2 P34972 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8790989 0.94 ABCG2 (0.54) ABCG2ADRB2ABCB1ADRB1ADRB3
SCHEMBL8836382 0.92 ABCG2 (0.52) ABCG2ADRB2ABCB1ADRB1ADRB3
SCHEMBL8790540 0.89 ABCG2 (0.55) ABCG2ADRB2ABCB1ADRB1ADRB3
SCHEMBL8789993 0.87 ABCG2 (0.57) ABCG2ADRB2ABCB1ADRB1ADRB3
SCHEMBL8790170 0.87 ABCG2 (0.45) ABCG2ABCB1
SCHEMBL8789159 0.87 ABCG2 (0.60) ABCG2ADRB2ABCB1ADRB1ADRB3
SCHEMBL8790801 0.86 ABCG2 (0.60) ABCG2ADRB2ABCB1ADRB1ADRB3
SCHEMBL8789699 0.85 ABCG2 (0.55) ABCG2ADRB2ABCB1ADRB1ADRB3
SCHEMBL8792332 0.85 ABCG2 (0.58) ABCG2ADRB2ABCB1ADRB1ADRB3
SCHEMBL8790484 0.83 ABCG2 (0.57) ABCG2ADRB2ABCB1ADRB1ADRB3

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-0569380-B1 ACRIDINE DERIVATIVES GLAXO LAB SA (FR) 1997-05-28 — — EP disclosed
US-5604237-A IMPROVE OR INCREASE EFFICACY OF ANTITUMOR AGENT, INCREASE OR RESTORE SENSITIVITY OF TUMOR TO ANTITUMOR AGENT, REVERSE OR REDUCE RESISTANCE OF TUMOR TO ANTITUMOR AGENT LABORATOIRES GLAXO SA (FR) 1997-02-18 — — US disclosed
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