SCHEMBL9618237

SCHEMBL9618237

ClN(Cl)CCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.57
CHRM2 P08172 1/20 0.57
HTR1A P08908 1/20 0.57
ADRA2A P08913 1/20 0.57
CHRM1 P11229 1/20 0.57
DRD1 P21728 1/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57
ADRA1A P35348 1/20 0.57
OPRM1 P35372 1/20 0.57
DRD3 P35462 1/20 0.57
SLC6A3 Q01959 1/20 0.57
AOC3 Q16853 1/20 0.57
SIGMAR1 Q99720 3/20 0.55
ALOX5 P09917 1/20 0.48

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
SCHEMBL3377935 0.85 TAAR1 (0.58) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL4264980 0.80 KCNH2 (0.62) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL10817335 0.80 KCNH2 (0.75) KCNH2CHRM2HTR1AADRA2ACHRM1
Hydrochloric Acid SCHEMBL1298996 0.79 KCNH2 (0.60) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL432616 0.77 SIGMAR1 (0.54) ADRA1ASLC6A3SIGMAR1
SCHEMBL6974866 0.77 SIGMAR1 (0.72) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL12902332 0.76 SIGMAR1 (0.88) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL26371471 0.76 CHRM2 (0.57) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL29000176 0.76 KCNH2 (0.57) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL25950098 0.76 ALOX5 (0.58) KCNH2CHRM2HTR1AADRA2ACHRM1

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
JP-4321647-A None JP disclosed
JP-H04321647-A DICHLOROPHENYLPROPYLAMINE AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE MITSUBISHI GAS CHEM CO INC 1992-11-11 JP disclosed