SCHEMBL21921791

SCHEMBL21921791

CC(C(=O)NCc1ccc(OCC(F)(F)F)cn1)[C@@H](C)c1ccc(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KCNH2 Q12809 2/20 0.39
CACNA1G O43497 2/20 0.39
CACNA1H O95180 2/20 0.39
CACNA1I Q9P0X4 2/20 0.39
CNR2 P34972 1/20 0.39
HTR2A P28223 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
PTGES O14684 3/20 0.38
TRPV1 Q8NER1 2/20 0.38
PRCP P42785 1/20 0.38
RORC P51449 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL17240403 0.70 RAB9A (0.54) KMT2ALMNAMAPTSMN1; SMN2NPSR1
SCHEMBL2132615 0.70 HTR2A (0.44) KCNH2HTR2ACYP1A2CYP2C19HTR2C
SCHEMBL2133636 0.69 RAB9A (0.56) MEN1KMT2ALMNASMN1; SMN2EPHX2
SCHEMBL2137443 0.67 NOTUM (0.47) MEN1KMT2ALMNAMAPTHTT
SCHEMBL21921792 0.67 HTR2A (0.42) MEN1KMT2AHTR2ACYP1A2TRPV1
SCHEMBL2137785 0.67 HTT (0.47) KMT2AHTR2CMAPTHTTSMN1; SMN2
SCHEMBL2137173 0.67 EPHX2 (0.54) MEN1KMT2ACYP1A2CYP2C19LMNA
SCHEMBL2136526 0.66 EPHX2 (0.52) MEN1KMT2ATRPV1SMN1; SMN2EPHX2
SCHEMBL2143239 0.66 ALDH1A1 (0.53) KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL10256966 0.65 CACNA1I (0.51) KCNH2CACNA1GCACNA1HCACNA1ICNR2

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-3632899-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RaQualia Pharma Inc. (JP) 2020-04-08 EP disclosed