SCHEMBL15799321

SCHEMBL15799321

O=C(c1cccc(C(F)(F)F)c1F)N1CCCN2CC(Oc3cnc(C4CC4)cn3)CC2C1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.43
▸ P2RX7 Q99572 11/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ HCRTR2 O43614 1/20 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
SCHEMBL15793648 1.00 MGLL (0.43) MGLLP2RX7HRH3SCN9AHCRTR2
SCHEMBL15793961 1.00 MGLL (0.43) MGLLP2RX7HRH3SCN9AHCRTR2
SCHEMBL15793460 1.00 MGLL (0.43) MGLLP2RX7HRH3SCN9AHCRTR2
SCHEMBL15793298 1.00 MGLL (0.43) MGLLP2RX7HRH3SCN9AHCRTR2
SCHEMBL14814809 0.95 MGLL (0.48) MGLLP2RX7
SCHEMBL14814656 0.88 MGLL (0.54) MGLLP2RX7HCRTR2
SCHEMBL15794061 0.87 MGLL (0.40) MGLLP2RX7HCRTR2
SCHEMBL15794234 0.87 MGLL (0.40) MGLLP2RX7HCRTR2
SCHEMBL15793822 0.87 MGLL (0.40) MGLLP2RX7HCRTR2
SCHEMBL15794285 0.87 MGLL (0.40) MGLLP2RX7HCRTR2

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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