SCHEMBL13620516

SCHEMBL13620516

C=C(N1CCN(c2ccc(Cl)cc2)CC1)C1(NC(=O)CC(c2ccccc2)c2ccccc2)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 1/20 0.43
AKR1C3 P42330 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
CACNA2D1 P54289 4/20 0.42
CACNB1 Q02641 4/20 0.42
CACNA1B Q00975 3/20 0.42
CACNA1C Q13936 3/20 0.42
HTR1A P08908 2/20 0.42
CACNA1G O43497 1/20 0.42
HTR7 P34969 1/20 0.42
GFER P55789 1/20 0.42
ATM Q13315 1/20 0.42
CACNA1A O00555 1/20 0.41

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
SCHEMBL4450270 0.90 LMNA (0.56) LMNATSHRALDH1A1SMN1; SMN2HPGD
SCHEMBL13620294 0.88 CACNA2D1 (0.45) LMNATSHRAKR1C3CACNA2D1CACNB1
SCHEMBL4248134 0.82 LMNA (0.64) LMNATSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL4453428 0.80 TSHR (0.56) LMNATSHRALDH1A1SMN1; SMN2HTT
SCHEMBL13671109 0.80 LMNA (0.56) LMNATSHRHTTCACNA2D1CACNB1
SCHEMBL13671111 0.78 LMNA (0.54) LMNATSHRALDH1A1SMN1; SMN2
SCHEMBL13620078 0.78 LMNA (0.57) LMNATSHRALDH1A1SMN1; SMN2
SCHEMBL4456715 0.78 LMNA (0.53) LMNATSHRAKR1C3CACNA2D1CACNB1
SCHEMBL4456969 0.76 TSHR (0.51) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL4453699 0.74 LMNA (0.53) LMNATSHRALDH1A1SMN1; SMN2HTT

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-2009132452-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-11-05 WO disclosed