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SCHEMBL8716072

SCHEMBL8716072

COC(=O)c1c(C(F)(F)F)[nH]c2c(OC(=O)N3CCC[C@H]3CO)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4cccc(OC)c4o3)ccc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ CHRNA7 P36544 2/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ HTR3A P46098 1/20 0.30
▸ 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 0.96 KDM4E (0.34) KDM4EMAPTCHRNA7HRH3PTGDR2
SCHEMBL6631577 0.95 KDM4E (0.34) KDM4EMAPTCHRNA7HRH3PTGDR2
SCHEMBL6629692 0.91 HRH3 (0.39) KDM4EMAPTCHRNA7HRH3PTGDR2
SCHEMBL6628904 0.90 KDM4E (0.34) KDM4EMAPTCHRNA7PTGDR2RXFP1
SCHEMBL6630070 0.88 KDM4E (0.35) KDM4EMAPTCHRNA7HRH3PTGDR2
SCHEMBL7468851 0.88 MAPT (0.38) KDM4EMAPTCHRNA7PTGDR2HTR3A
SCHEMBL6629514 0.87 KDM4E (0.34) KDM4EMAPTCHRNA7PTGDR2RXFP1
SCHEMBL8019709 0.86 KDM4E (0.34) KDM4EMAPTCHRNA7HRH3PTGDR2
SCHEMBL7464789 0.86 KDM4E (0.36) KDM4EMAPTCHRNA7PTGDR2RXFP1
SCHEMBL6627643 0.85 KDM4E (0.34) KDM4EMAPTCHRNA7PTGDR2RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10265473-A — — None — — JP disclosed
JP-H10265473-A PYRROLOINDOLE DERIVATIVE AND ITS PRODUCTION INTERMEDIATE KYORIN PHARMACEUT CO LTD 1998-10-06 — — JP disclosed