SCHEMBL7428289

SCHEMBL7428289

O=C(C(Cc1ccccc1)NC1CCCCC1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.54
CNR2 P34972 9/20 0.54
HTT P42858 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
CACNA2D1 P54289 1/20 0.51
CACNA1B Q00975 1/20 0.51
CACNB1 Q02641 1/20 0.51
CACNA1C Q13936 1/20 0.51
POLB P06746 1/20 0.47
GAA P10253 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 1/20 0.46
DPP8 Q6V1X1 1/20 0.45
DPP7 Q9UHL4 1/20 0.45

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
SCHEMBL7430775 1.00 CNR1 (0.54) CNR1CNR2HTTNPSR1CACNA2D1
SCHEMBL7391005 0.84 CACNA2D1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1CPOLB
SCHEMBL7425100 0.84 CACNA2D1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1CPOLB
SCHEMBL7664625 0.83 CNR1 (0.48) CNR1CNR2HTTNPSR1CACNA2D1
SCHEMBL7664633 0.83 CNR1 (0.48) CNR1CNR2HTTNPSR1CACNA2D1
SCHEMBL7392303 0.79 CACNA2D1 (0.50) CACNA2D1CACNA1BCACNB1CACNA1CPOLB
SCHEMBL7659212 0.79 CACNA2D1 (0.50) CACNA2D1CACNA1BCACNB1CACNA1CPOLB
SCHEMBL7391221 0.78 DPP8 (0.62) CACNA2D1CACNA1BCACNB1CACNA1CMEN1
SCHEMBL7391223 0.78 DPP8 (0.62) CACNA2D1CACNA1BCACNB1CACNA1CMEN1
SCHEMBL28829561 0.78 MMP1 (0.51) GAAMEN1KMT2AALDH1A1

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
WO-1999055688-A1 SUBSTITUTED DIARYLALKYL AMIDES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-11-04 WO claimed
US-6458781-B1 BLOCKERS CALCIUM CHANNEL ANTAGONISTS FOR STROKES, BRAIN DISORDERS WARNER-LAMBERT COMPANY 2002-10-01 US disclosed
WO-1999055688-A1 SUBSTITUTED DIARYLALKYL AMIDES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-11-04 WO disclosed