SCHEMBL4748632

SCHEMBL4748632

Cc1ccc(C2(c3noc(CNCCN4CCN(c5ccc(C(F)(F)F)cn5)CC4)n3)CCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.43
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 2/20 0.41
RBP1 P09455 2/20 0.41
ALOX5AP P20292 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.40
DRD4 P21917 1/20 0.39
GRM2 Q14416 1/20 0.39
SMO Q99835 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
CACNA1G O43497 1/20 0.37
HPGD P15428 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
SCHEMBL4748724 0.98 HTR7 (0.45) HTR7KMT2AMEN1HTTMAPT
SCHEMBL4744950 0.97 HTR7 (0.42) HTR7KMT2AMEN1HTTMAPT
SCHEMBL4748288 0.92 HTR7 (0.43) HTR7KMT2AALOX5APALDH1A1LMNA
SCHEMBL4748174 0.92 HTR7 (0.42) HTR7KMT2AHTTALOX5APLMNA
SCHEMBL4748337 0.91 HTR7 (0.41) HTR7KMT2AMEN1HTTMAPT
SCHEMBL4823970 0.91 HTR7 (0.45) HTR7KMT2AMEN1HTTALOX5AP
SCHEMBL4744984 0.91 HTR7 (0.46) HTR7KMT2AHTTMAPTALOX5AP
SCHEMBL4744953 0.90 HTR7 (0.43) HTR7KMT2AMEN1HTTALOX5AP
SCHEMBL4746801 0.90 HTR7 (0.46) HTR7KMT2AMEN1HTTALOX5AP
SCHEMBL4744148 0.89 HTR7 (0.44) HTR7KMT2AHTTMAPTALOX5AP

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 disclosed