SCHEMBL13896162

SCHEMBL13896162

COc1cc2c(cc1OC)CN(CCc1ccccc1)CC2

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 11/20 0.73
ABCG2 Q9UNQ0 5/20 0.69
DHCR7 Q9UBM7 3/20 0.66
REV1 Q9UBZ9 1/20 0.61
CHRNA7 P36544 2/20 0.61

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
SCHEMBL5094554 0.92 ABCB1 (0.82) ABCB1ABCG2DHCR7
SCHEMBL3504140 0.91 DHCR7 (0.79) ABCB1ABCG2DHCR7
SCHEMBL10383113 0.90 EBP (0.58) ABCB1ABCG2CHRNA7
SCHEMBL3058621 0.88 ABCB1 (0.74) ABCB1ABCG2DHCR7REV1CHRNA7
SCHEMBL2248118 0.86 ABCB1 (0.70) ABCB1ABCG2DHCR7
SCHEMBL2771882 0.86 ABCB1 (0.78) ABCB1ABCG2DHCR7
SCHEMBL10659881 0.86 DHCR7 (0.74) ABCB1ABCG2DHCR7
SCHEMBL8789667 0.86 ABCB1 (0.67) ABCB1ABCG2DHCR7
Hydrochloric Acid SCHEMBL10662623 0.85 DHCR7 (0.72) ABCB1ABCG2DHCR7
Hydrochloric Acid SCHEMBL10661663 0.85 ABCB1 (0.76) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119255984-A Isoquinolinone derivatives, pharmaceutical compositions containing them and their use 拜西欧斯(北京)生物技术有限公司 2025-01-03 CN disclosed
EP-2524916-B1 METHOD FOR PREPARING TETRAZOLE METHANESULFONIC ACID SALTS, AND NOVEL COMPOUND USED IN SAME HANMI SCIENCE CO LTD (KR) 2014-07-23 EP disclosed
EP-2524916-A2 METHOD FOR PREPARING TETRAZOLE METHANESULFONIC ACID SALTS, AND NOVEL COMPOUND USED IN SAME Hanmi Science Co., Ltd. (KR) 2012-11-21 EP disclosed