SCHEMBL15799494

SCHEMBL15799494

FC(F)(F)c1ccc(N2CCCN3CC(Oc4cnc(C5CC5)cn4)CC3C2)nc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LIPG Q9Y5X9 1/20 0.37
▸ S100A4 P26447 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ LIPE Q05469 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ PKM P14618 2/20 0.35

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
SCHEMBL15794006 1.00 HRH3 (0.39) HRH3KDM4EABL1LMNAKMT2A
SCHEMBL15793422 1.00 HRH3 (0.39) HRH3KDM4EABL1LMNAKMT2A
SCHEMBL15793634 1.00 HRH3 (0.39) HRH3KDM4EABL1LMNAKMT2A
SCHEMBL15794425 1.00 HRH3 (0.39) HRH3KDM4EABL1LMNAKMT2A
SCHEMBL14815115 0.95 HRH3 (0.40) HRH3KDM4EABL1LMNALIPG
SCHEMBL15794271 0.84 HRH3 (0.39) HRH3KDM4EABL1LMNALIPG
SCHEMBL15793592 0.84 HRH3 (0.39) HRH3KDM4EABL1LMNALIPG
SCHEMBL15793449 0.84 HRH3 (0.39) HRH3KDM4EABL1LMNALIPG
SCHEMBL15798409 0.84 HRH3 (0.39) HRH3KDM4EABL1LMNALIPG
SCHEMBL15793857 0.84 HRH3 (0.39) HRH3KDM4EABL1LMNALIPG

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
EP-2931727-A1 DIAZEPINE DERIVATIVES USEFUL AS CALCIUM CHANNEL BLOCKERS IN THE TREATMENT OF PAIN Abbvie Inc. (US) 2015-10-21 — — EP disclosed
WO-2014093337-A1 DIAZEPINE DERIVATIVES USEFUL AS CALCIUM CHANNEL BLOCKERS IN THE TREATMENT OF PAIN ABBVIE, INC. (US) 2014-06-19 — — WO disclosed
Send feedback