SCHEMBL6629692

SCHEMBL6629692

COc1cccc2cc(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(OC(=O)N5CCC[C@H]5CN5CCCC5)c5[nH]c(C(F)(F)F)c(C(=O)O)c65)cc4c3)oc12

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.39
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
CHRNA7 P36544 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL8029324 0.95 KDM4E (0.34) HRH3KDM4EMAPTCHRNA7PTGDR2
SCHEMBL6631577 0.94 KDM4E (0.34) HRH3KDM4EMAPTCHRNA7PTGDR2
SCHEMBL8716072 0.91 KDM4E (0.34) HRH3KDM4EMAPTCHRNA7PTGDR2
SCHEMBL6628904 0.90 KDM4E (0.34) KDM4EMAPTCHRNA7PTGDR2RXFP1
SCHEMBL6629514 0.89 KDM4E (0.34) KDM4EMAPTCHRNA7PTGDR2RXFP1
SCHEMBL7464789 0.88 KDM4E (0.36) KDM4EMAPTCHRNA7PTGDR2RXFP1
Hydrochloric Acid SCHEMBL7467807 0.88 FLT3 (0.38) KDM4EMAPTCHRNA7PTGDR2
SCHEMBL6627433 0.86 MAPT (0.38) KDM4EMAPTCHRNA7PTGDR2RXFP1
SCHEMBL6629687 0.86 HRH3 (0.38) HRH3KDM4EMAPTCHRNA7PTGDR2
SCHEMBL6629180 0.86 KDM4E (0.34) KDM4EMAPTCHRNA7PTGDR2

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
EP-0972775-B1 PYRROLOINDOLE DERIVATIVES AND INTERMEDIATES IN PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2004-12-08 EP disclosed
US-6080859-A 1-CHLOROMETHYL, 3-((HETEROARYL OR ARYL)CARBONYL), 5-(HETEROCYCLE-AMINOCARBONYLOXY),7-TRIFLUOROMETHYL, 8-ALKOXYCARBONYL-1,2,3,6-TETRAHYDROPYRROLO(3,2-E)INDOLE OF GIVEN STRUCTURE; ANTITUMOR AND ANTIMICROBIAL ACTIVITY KYORIN PHARMACEUTICAL CO., LTD. (JP) 2000-06-27 US disclosed
EP-0972775-A1 PYRROLOINDOLE DERIVATIVES AND INTERMEDIATES IN PRODUCING THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 2000-01-19 EP disclosed