SCHEMBL4748756

SCHEMBL4748756

Cc1ccc(C2(c3noc(CNCCN4CCN(Cc5cccc(C(F)(F)F)c5)CC4)n3)CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
RBP1 P09455 3/20 0.42
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
PHGDH O43175 1/20 0.40
CACNA1G O43497 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
OPRL1 P41146 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
SCHEMBL4913486 0.97 MEN1 (0.43) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL4748785 0.93 CACNA1G (0.43) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL4747027 0.92 ALDH1A1 (0.40) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL4747811 0.92 CACNA1G (0.43) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL4748172 0.92 ALDH1A1 (0.42) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL4744995 0.92 MEN1 (0.41) MEN1KMT2AHTTALDH1A1KDM4E
SCHEMBL4744345 0.91 CACNA1G (0.43) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL4744841 0.91 MEN1 (0.39) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL4744647 0.91 KDM4E (0.40) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL4747842 0.90 CACNA1G (0.43) MEN1KMT2AHTTALDH1A1LMNA

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