SCHEMBL8790535

SCHEMBL8790535

COc1cc2c(cc1OC)CN(CCCc1ccc(N)cc1)CC2

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 14/20 0.68
ABCG2 Q9UNQ0 4/20 0.68
DHCR7 Q9UBM7 2/20 0.58
KMT2A Q03164 1/20 0.55

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
SCHEMBL8788946 0.96 ABCB1 (0.67) ABCB1ABCG2DHCR7KMT2A
SCHEMBL2771882 0.92 ABCB1 (0.78) ABCB1ABCG2DHCR7KMT2A
Hydrochloric Acid SCHEMBL10661663 0.91 ABCB1 (0.76) ABCB1ABCG2DHCR7KMT2A
SCHEMBL8790676 0.88 DHCR7 (0.61) ABCB1ABCG2DHCR7KMT2A
SCHEMBL8790248 0.87 ABCB1 (0.61) ABCB1ABCG2DHCR7
Verilopam SCHEMBL489188 0.85 ABCB1 (0.68) ABCB1ABCG2DHCR7KMT2A
SCHEMBL14330769 0.84 DHCR7 (0.79) ABCB1ABCG2DHCR7
SCHEMBL17664977 0.84 DHCR7 (0.79) ABCB1ABCG2DHCR7
Verilopam SCHEMBL121615 0.84 ABCB1 (0.67) ABCB1ABCG2DHCR7KMT2A
SCHEMBL3810641 0.84 KMT2A (0.76) ABCB1ABCG2KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663179-A CAN SENSITIZE MULTIDRUG RESISTANT CANCER CELLS TO CHEMOTHERAPEUTIC AGENTS LABORATOIRES GLAXO SA (FR) 1997-09-02 US disclosed
EP-0569380-B1 ACRIDINE DERIVATIVES GLAXO LAB SA (FR) 1997-05-28 EP disclosed
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 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-0649410-A1 ANILIDE DERIVATIVES. GLAXO LAB SA (FR) 1995-04-26 EP disclosed
WO-1994001408-A1 ANILIDE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1994-01-20 WO disclosed
EP-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 EP disclosed