SCHEMBL6628899

SCHEMBL6628899

COc1cccc2cc(C(=O)Nc3ccc4[nH]c(C(=O)N5CCc6c5cc(OC(=O)N5CCN(C)CC5CO)c5[nH]c(C(F)(F)F)c(C(=O)OCCl)c65)cc4c3)oc12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
CHRNA7 P36544 2/20 0.32
RXFP1 Q9HBX9 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
ABCB1 P08183 1/20 0.30
HTR3A P46098 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
SCHEMBL6630070 0.93 KDM4E (0.35) KDM4EMAPTCHRNA7RXFP1PTGDR2
SCHEMBL8019709 0.93 KDM4E (0.34) KDM4EMAPTCHRNA7RXFP1PTGDR2
SCHEMBL6630219 0.92 KDM4E (0.34) KDM4EMAPTCHRNA7RXFP1PTGDR2
SCHEMBL6627641 0.92 KDM4E (0.34) KDM4EMAPTCHRNA7RXFP1PTGDR2
SCHEMBL6629177 0.91 KDM4E (0.34) KDM4EMAPTCHRNA7PTGDR2ABCB1
SCHEMBL6629687 0.89 HRH3 (0.38) KDM4EMAPTCHRNA7RXFP1PTGDR2
SCHEMBL6627519 0.87 KDM4E (0.40) KDM4EMAPTCHRNA7RXFP1PTGDR2
SCHEMBL6628904 0.86 KDM4E (0.34) KDM4EMAPTCHRNA7RXFP1PTGDR2
SCHEMBL8035216 0.83 KDM4E (0.33) KDM4EMAPTRXFP1PTGDR2
SCHEMBL6629514 0.83 KDM4E (0.34) KDM4EMAPTCHRNA7RXFP1PTGDR2

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