SCHEMBL4747809

SCHEMBL4747809

COc1ccc(C2(c3noc(CNCCN4CCN(Cc5cccc(C(F)(F)F)c5)CC4)n3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 4/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
XBP1 P17861 1/20 0.43
HTT P42858 1/20 0.43
BLM P54132 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
KCNH2 Q12809 2/20 0.42
OPRL1 P41146 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
NPBWR1 P48145 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4747811 0.97 CACNA1G (0.43) CACNA1GLMNAPOLBXBP1HTT
SCHEMBL4747842 0.97 CACNA1G (0.43) CACNA1GLMNAPOLBXBP1HTT
SCHEMBL4913486 0.91 MEN1 (0.43) CACNA1GLMNAHTTOPRL1MEN1
SCHEMBL4744706 0.90 CACNA1G (0.41) CACNA1GLMNAHTTHTR2AHTR2C
SCHEMBL4748756 0.88 MEN1 (0.47) CACNA1GLMNAHTTSMN1; SMN2OPRL1
SCHEMBL4744227 0.88 MEN1 (0.42) CACNA1GLMNAHTTOPRL1MEN1
SCHEMBL4744345 0.87 CACNA1G (0.43) CACNA1GLMNAHTTHTR2AHTR2C
SCHEMBL4748785 0.87 CACNA1G (0.43) CACNA1GLMNAHTTSMN1; SMN2HTR2A
SCHEMBL4744647 0.87 KDM4E (0.40) CACNA1GLMNAHTTHTR2AHTR2C
SCHEMBL4747027 0.87 ALDH1A1 (0.40) CACNA1GLMNAHTTSMN1; SMN2KCNH2

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
WO-2008117148-A1 SUBSTITUTED OXADIAZOLE ANALOGS AS CALCIUM CHANNEL ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-10-02 WO claimed