SCHEMBL8789538

SCHEMBL8789538

COc1ccc2c(c1)CN(CCc1ccc(N)cc1)CC2

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 9/20 0.63
▸ ABCG2 Q9UNQ0 4/20 0.59
▸ DHCR7 Q9UBM7 3/20 0.52
▸ SIGMAR1 Q99720 1/20 0.51
▸ HRH3 Q9Y5N1 1/20 0.49
▸ ADRA1D P25100 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ ADRA1B P35368 1/20 0.47
▸ ABCC1 P33527 1/20 0.47

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
SCHEMBL8789784 0.95 ABCB1 (0.63) ABCB1ABCG2DHCR7SIGMAR1
SCHEMBL3157251 0.87 ABCB1 (0.62) ABCB1ABCG2SIGMAR1ADRA1DADRA1A
SCHEMBL2771882 0.85 ABCB1 (0.78) ABCB1ABCG2DHCR7
Hydrochloric Acid SCHEMBL10661663 0.84 ABCB1 (0.76) ABCB1ABCG2DHCR7
SCHEMBL8789944 0.82 KCNJ1 (0.67) ABCB1ABCG2HRH3
SCHEMBL7743687 0.82 ABCB1 (0.62) ABCB1DHCR7SIGMAR1ADRA1DADRA1A
SCHEMBL3156807 0.82 ABCB1 (0.62) ABCB1ABCG2SIGMAR1ADRA1DADRA1A
SCHEMBL3148037 0.82 HDAC1 (0.65) ABCB1ABCG2SIGMAR1ADRA1DADRA1A
SCHEMBL17664977 0.80 DHCR7 (0.79) ABCB1ABCG2DHCR7
SCHEMBL14330769 0.80 DHCR7 (0.79) ABCB1ABCG2DHCR7

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-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
EP-0569380-A1 ACRIDINE DERIVATIVES. GLAXO LAB SA (FR) 1993-11-18 — — EP disclosed
WO-1992012132-A1 ACRIDINE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1992-07-23 — — WO disclosed
EP-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 — — EP disclosed
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