SCHEMBL2652238

SCHEMBL2652238

Clc1ccc(CCC2CCCC2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
SIGMAR1 Q99720 15/20 0.49
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
OPRK1 P41145 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNA5 P22460 1/20 0.45
SCN5A Q14524 1/20 0.45

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
Ammonia Solution, Strong SCHEMBL6194671 0.91 PNMT (0.52) PNMTTAAR1SIGMAR1CYP1A2CYP2D6
SCHEMBL7097984 0.89 IGF1R (0.49) PNMTTAAR1SIGMAR1ALDH1A1MAPT
SCHEMBL20405360 0.81 SIGMAR1 (0.43) SIGMAR1ALDH1A1MAPTSMN1; SMN2OPRK1
SCHEMBL21788431 0.79 POLB (0.49) PNMTTAAR1SIGMAR1SMN1; SMN2SLC6A2
SCHEMBL25787111 0.79 POLB (0.49) PNMTTAAR1SIGMAR1SMN1; SMN2SLC6A2
SCHEMBL21622788 0.77 MAOB (0.55) TAAR1ALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL9262567 0.77 PNMT (0.39) PNMTTAAR1SIGMAR1ALDH1A1MAPT
SCHEMBL9262557 0.77 PNMT (0.39) PNMTTAAR1SIGMAR1ALDH1A1MAPT
SCHEMBL9627994 0.75 SIGMAR1 (0.38) PNMTTAAR1SIGMAR1ALDH1A1MAPT
SCHEMBL9260158 0.75 SIGMAR1 (0.38) PNMTTAAR1SIGMAR1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458382-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2004-09-22 EP claimed
WO-2003055482-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2003-07-10 WO claimed
EP-1458382-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
WO-2003055482-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2003-07-10 WO disclosed