SCHEMBL7967170

SCHEMBL7967170

CC(c1ccccc1)(c1ccncc1)N1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 2/20 0.43
ADRB2 P07550 1/20 0.43
NCF1 P14598 1/20 0.43
SLC6A4 P31645 1/20 0.41
KCNA5 P22460 1/20 0.41
KCNH2 Q12809 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CYP2B6 P20813 1/20 0.39
OPRD1 P41143 1/20 0.38
CSNK1D P48730 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
ADRB1 P08588 3/20 0.38
SIGMAR1 Q99720 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38

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
SCHEMBL9202300 0.90 CHRM2 (0.46) NCF1SLC6A4CHRM2CHRM4CHRM5
SCHEMBL17844553 0.79 MEN1 (0.38) PLD1SLC6A4KCNA5KCNH2CHRM2
Hydrochloric Acid SCHEMBL17844468 0.78 CHRM4 (0.39) PLD1KCNA5KCNH2CHRM2CHRM4
SCHEMBL2697321 0.75 CYP2B6 (0.66) NCF1KCNA5KCNH2CHRM2CHRM4
SCHEMBL17810248 0.73 CYP2B6 (0.67) SLC6A4KCNH2CHRM2CHRM4CHRM5
SCHEMBL2431449 0.73 CYP2B6 (0.43) NCF1KCNA5KCNH2CHRM2CHRM4
SCHEMBL5139721 0.73 OPRD1 (0.49) KCNA5KCNH2CHRM2CHRM4CHRM5
SCHEMBL7317038 0.72 SIGMAR1 (0.46) ADRB2NCF1SLC6A4CHRM2CHRM4
Hydrochloric Acid SCHEMBL11447338 0.71 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL569963 0.71 SIGMAR1 (0.48) NCF1CHRM2CHRM4CHRM5CHRM1

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-6172228-B1 Process for producing piperazinesulfonamide derivatives and salts thereof AZWELL INC. (JP) 2001-01-09 US disclosed