SCHEMBL21242301

SCHEMBL21242301

CC(CCCCCN)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.48
MAOA P21397 2/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
MMP2 P08253 2/20 0.46
CYP2D6 P10635 1/20 0.46
CSNK1E P49674 1/20 0.45
CPB2 Q96IY4 2/20 0.43
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
EPHX1 P07099 1/20 0.42
SLC18A2 Q05940 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
SCHEMBL8512221 0.98 TAAR1 (0.50) TAAR1MAOASLC6A2SLC6A4SLC6A3
SCHEMBL23934035 0.95 TAAR1 (0.47) TAAR1MAOASLC6A2SLC6A4SLC6A3
SCHEMBL19628486 0.92 TAAR1 (0.52) TAAR1MAOASLC6A2SLC6A4SLC6A3
SCHEMBL11990712 0.84 TAAR1 (0.56) TAAR1MAOASLC6A2SLC6A4SLC6A3
SCHEMBL8524202 0.84 TAAR1 (0.56) TAAR1MAOASLC6A2SLC6A4SLC6A3
SCHEMBL6060574 0.83 CSNK1E (0.58) TAAR1MAOASLC6A2SLC6A4SLC6A3
SCHEMBL25212657 0.83 CSNK1E (0.58) TAAR1MAOASLC6A2SLC6A4SLC6A3
SCHEMBL16370367 0.83 CSNK1E (0.58) TAAR1MAOASLC6A2SLC6A4SLC6A3
SCHEMBL16752540 0.83 CSNK1E (0.58) TAAR1MAOASLC6A2SLC6A4SLC6A3
SCHEMBL25204172 0.83 CSNK1E (0.58) TAAR1MAOASLC6A2SLC6A4SLC6A3

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
EP-3572484-B1 ASHLESS OR REDUCED ASH QUATERNARY DETERGENTS LUBRIZOL CORP (US) 2021-05-05 EP disclosed
EP-2403930-B1 ASHLESS OR REDUCED ASH QUATERNARY DETERGENTS LUBRIZOL CORP (US) 2019-08-07 EP disclosed