SCHEMBL29006641

SCHEMBL29006641

NCCCC(N)C(c1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.63
HTR2A P28223 2/20 0.63
TACR1 P25103 5/20 0.46
TAAR1 Q96RJ0 1/20 0.43
DPP4 P27487 2/20 0.41
F2 P00734 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
SLC6A4 P31645 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
Hydrochloric Acid SCHEMBL11127121 0.80 TACR1 (0.43) HRH1HTR2ATACR1DPP4F2
Water SCHEMBL11439220 0.80 TACR1 (0.43) HRH1HTR2ATACR1DPP4F2
Hydrochloric Acid SCHEMBL11126421 0.79 CSNK1E (0.49) HRH1HTR2ATACR1
Water SCHEMBL11440454 0.79 CSNK1E (0.49) HRH1HTR2ATACR1
SCHEMBL3634229 0.78 HRH1 (0.68) HRH1HTR2ATAAR1DPP4F2
SCHEMBL4773075 0.78 TAAR1 (0.56) HRH1HTR2ATACR1TAAR1DPP4
SCHEMBL157808 0.78 HRH1 (1.00) HRH1HTR2ATAAR1CYP1A2CYP3A4
SCHEMBL8003693 0.77 HRH1 (0.55) HRH1HTR2ATAAR1CYP1A2CYP3A4
SCHEMBL1779357 0.77 HRH1 (0.55) HRH1HTR2ATAAR1CYP1A2CYP3A4
Water SCHEMBL11427925 0.77 CSNK1E (0.51) HTR2ATACR1CYP2D6

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
CN-115956310-A Aluminum foil with improved wettability 斯佩拉有限公司 2023-04-11 CN disclosed
CN-115885025-A Cooling lubricant for cold rolling of aluminium 斯佩拉有限公司 2023-03-31 CN disclosed