SCHEMBL20056282

SCHEMBL20056282

O=C(NCC1CCN(CCNC2CC2)CC1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.55
CHRM1 P11229 1/20 0.55
EPHX2 P34913 2/20 0.52
CXCR3 P49682 1/20 0.51
PREP P48147 1/20 0.48
CACNA1I Q9P0X4 3/20 0.46
KCNH2 Q12809 3/20 0.46
CHRM4 P08173 4/20 0.46
TRPV1 Q8NER1 1/20 0.46
CCR2 P41597 1/20 0.45
FAAH O00519 1/20 0.45
HDAC6 Q9UBN7 3/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL19113313 0.88 CARM1 (0.56) CHRM2CHRM1EPHX2CXCR3PREP
SCHEMBL19113186 0.86 CHRM2 (0.55) CHRM2CHRM1EPHX2CXCR3PREP
SCHEMBL4277358 0.85 CHRM2 (0.52) CHRM2CHRM1EPHX2CXCR3PREP
SCHEMBL4272776 0.84 EPHX2 (0.52) CHRM2CHRM1EPHX2CXCR3PREP
SCHEMBL19112915 0.84 EPHX2 (0.52) CHRM2CHRM1EPHX2CXCR3PREP
SCHEMBL13569865 0.83 HDAC6 (0.50) CACNA1IKCNH2CHRM4HDAC6HDAC3
SCHEMBL4284039 0.83 CHRM2 (0.51) CHRM2CHRM1EPHX2CXCR3PREP
SCHEMBL19112914 0.82 EPHX2 (0.50) CHRM2CHRM1EPHX2CXCR3CACNA1I
SCHEMBL11758042 0.82 CXCR3 (0.64) CHRM2CHRM1EPHX2CXCR3PREP
SCHEMBL19112876 0.80 CACNA1I (0.50) CHRM2CHRM1EPHX2CACNA1IKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189839-B1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS PRAXIS PREC MEDICINES INC (US) 2020-05-20 EP disclosed
EP-2300007-B1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TARO PHARMACEUTICALS INC (CA) 2018-04-18 EP disclosed