SCHEMBL4249383

SCHEMBL4249383

CC(C)Cc1cc(CNCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)nn1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.44
LMNA P02545 5/20 0.44
NPSR1 Q6W5P4 4/20 0.44
P2RX7 Q99572 3/20 0.39
HTT P42858 5/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4245546 0.95 KCNH2 (0.44) CACNA1GLMNAKMT2AMEN1
SCHEMBL4247009 0.89 CACNA1G (0.53) CACNA1GLMNANPSR1P2RX7HTT
SCHEMBL4245649 0.86 CACNA1G (0.41) CACNA1G
SCHEMBL4256059 0.85 CACNA1G (0.50) CACNA1GP2RX7
SCHEMBL4245578 0.84 CACNA1G (0.49) CACNA1GLMNAKMT2AMEN1MAPK1
SCHEMBL4248063 0.81 CACNA1G (0.39) CACNA1GLMNANPSR1ALDH1A1MAPT
SCHEMBL4249535 0.81 CACNA1G (0.45) CACNA1GLMNANPSR1P2RX7HTT
SCHEMBL4245552 0.81 HTR6 (0.47) CACNA1G
SCHEMBL4249379 0.80 CACNA1G (0.45) CACNA1GLMNANPSR1KMT2AMEN1
SCHEMBL4247776 0.80 HRH1 (0.46) CACNA1GLMNAKMT2AMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1757590-B1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INST SCI & TECH (KR) 2009-12-02 EP claimed