SCHEMBL8229529

SCHEMBL8229529

CCCC1(c2cccc(Cl)c2)NC1(CCC)c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.40
SLC6A4 P31645 9/20 0.40
SLC6A2 P23975 8/20 0.40
CHRNA1 P02708 6/20 0.40
CHRNB1 P11230 6/20 0.40
CHRNB2 P17787 6/20 0.40
CHRNB4 P30926 6/20 0.40
CHRNA3 P32297 6/20 0.40
CHRNA4 P43681 6/20 0.40
CHRNG P07510 4/20 0.40
CHRND Q07001 4/20 0.40
HTR2C P28335 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
DPP4 P27487 1/20 0.36
PGR P06401 2/20 0.34
HSD11B1 P28845 1/20 0.33

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
SCHEMBL8204184 0.85 SLC6A3 (0.41) SLC6A3SLC6A4SLC6A2CHRNA1CHRNB1
SCHEMBL8204306 0.77 SLC6A4 (0.36) SLC6A3SLC6A4SLC6A2PGR
SCHEMBL15043620 0.71 SLC6A4 (0.67) SLC6A3SLC6A4SLC6A2DPP4
SCHEMBL8195018 0.71 SLC6A3 (0.44) SLC6A3SLC6A4SLC6A2CHRNA1CHRNB1
Butane SCHEMBL27583449 0.69 PNMT (0.48)
SCHEMBL8205124 0.67 GRIN1 (0.37) SLC6A4PGR
SCHEMBL13638257 0.67 SLC6A4 (0.57) SLC6A3SLC6A4SLC6A2CHRNA1CHRNB1
SCHEMBL9911479 0.63 SLC6A3 (0.49) SLC6A3SLC6A4SLC6A2CHRNA1CHRNB1
Alcohol SCHEMBL27497858 0.62 TSHR (0.52)
Ethylamine SCHEMBL27972603 0.62 PNMT (0.58) HTR2CHTR2AHTR2B

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
US-6093851-A N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-07-25 US disclosed
EP-0735018-B1 N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL CO (JP) 1999-07-21 EP disclosed
US-5739401-A N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-04-14 US disclosed
EP-0735018-A1 N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed