SCHEMBL15799691

SCHEMBL15799691

O=C(c1ccc(F)cc1)N1CCCN2CC(Oc3cnc(C4CC4)cn3)CC2C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 13/20 0.48
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GRM5 P41594 1/20 0.42
▸ CLPP Q16740 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ L3MBTL3 Q96JM7 1/20 0.39

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
SCHEMBL15794008 1.00 HRH3 (0.48) HRH3MEN1KMT2AL3MBTL1KDM4E
SCHEMBL15793993 1.00 HRH3 (0.48) HRH3MEN1KMT2AL3MBTL1KDM4E
SCHEMBL15794289 1.00 HRH3 (0.48) HRH3MEN1KMT2AL3MBTL1KDM4E
SCHEMBL15794107 1.00 HRH3 (0.48) HRH3MEN1KMT2AL3MBTL1KDM4E
SCHEMBL15794203 0.90 PDE2A (0.43) HRH3MEN1KMT2AALDH1A1KCNH2
SCHEMBL15793976 0.90 PDE2A (0.43) HRH3MEN1KMT2AALDH1A1KCNH2
SCHEMBL15794005 0.90 PDE2A (0.43) HRH3MEN1KMT2AALDH1A1KCNH2
SCHEMBL15793952 0.90 PDE2A (0.43) HRH3MEN1KMT2AALDH1A1KCNH2
SCHEMBL15793509 0.88 MGLL (0.43) HRH3KCNH2
SCHEMBL15794062 0.88 MGLL (0.43) HRH3KCNH2

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
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