SCHEMBL11811596

SCHEMBL11811596

CC1(C)CCCC(C)(C)N1Cc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
AMPD2 Q01433 1/20 0.45
MAPT P10636 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
PNMT P11086 2/20 0.42
SLC2A1 P11166 1/20 0.42
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL11814837 0.83 GAA (0.44) SIGMAR1AMPD2LMNAGAACHEK1
SCHEMBL11807403 0.81 KDM4E (0.46) SIGMAR1AMPD2MAPTHTTSMN1; SMN2
SCHEMBL16367848 0.77 ENPP2 (0.47) SMN1; SMN2ALDH1A1KDM4ECHEK1
SCHEMBL11811379 0.74 KMT2A (0.47) SIGMAR1AMPD2MAPTSMN1; SMN2LMNA
SCHEMBL29668629 0.74 SIGMAR1 (0.79) SIGMAR1TDP1MAPTHTTSMN1; SMN2
SCHEMBL20238106 0.74 SIGMAR1 (0.79) SIGMAR1TDP1MAPTHTTSMN1; SMN2
SCHEMBL8204263 0.73 ALDH1A1 (0.47) SIGMAR1TDP1LMNAALDH1A1CYP11B1
SCHEMBL11119636 0.73 CHEK1 (0.44) ALDH1A1CHEK1TAAR1TSHRCYP1A2
SCHEMBL16365587 0.73 CHEK1 (0.41) LMNACHEK1KMT2A
Maleic Acid SCHEMBL27879743 0.72 AMPD2 (0.43) SIGMAR1AMPD2CYP2C19LMNAALDH1A1

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
US-3975357-A SUBSTITUTED PIPERIDINES SANKYO COMPANY LIMITED (JA) 1976-08-17 US disclosed