SCHEMBL10373753

SCHEMBL10373753

CN(C)CCCN1c2ccccc2C(c2ccc(Br)cc2)=Nc2cccnc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.37
HTR1A P08908 3/20 0.37
DRD2 P14416 3/20 0.37
HTR2A P28223 3/20 0.37
SLC6A4 P31645 3/20 0.37
HTR6 P50406 3/20 0.37
CYP2D6 P10635 4/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
CYP1A2 P05177 3/20 0.37
SLC22A1 O15245 2/20 0.37
PRNP P04156 2/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
CHRM3 P20309 2/20 0.37
DRD1 P21728 2/20 0.37

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
Tampramine SCHEMBL120540 0.92 HRH1 (0.40) HRH1HTR1ADRD2HTR2ASLC6A4
Tampramine SCHEMBL30801387 0.92 HRH1 (0.40) HRH1HTR1ADRD2HTR2ASLC6A4
SCHEMBL10371054 0.91 HRH1 (0.40) HRH1HTR1ADRD2HTR2ASLC6A4
SCHEMBL10372370 0.90 HRH1 (0.37) HRH1HTR1ADRD2HTR2ASLC6A4
SCHEMBL10373430 0.90 HTR1A (0.40) HRH1HTR1ADRD2HTR2ASLC6A4
SCHEMBL10371655 0.90 CYP2D6 (0.42) HRH1HTR1ADRD2HTR2ASLC6A4
Hydrochloric Acid SCHEMBL10371429 0.89 LMNA (0.38) HRH1HTR1ADRD2HTR2ASLC6A4
SCHEMBL10370360 0.89 HRH1 (0.36) HRH1HTR1ADRD2HTR2ASLC6A4
Water SCHEMBL10373998 0.89 HRH1 (0.36) HRH1HTR1ADRD2HTR2ASLC6A4
SCHEMBL10635380 0.89 HDAC3 (0.37) HRH1HTR1ADRD2HTR2ASLC6A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0076017-B1 PHENYL SUBSTITUTED PYRIDO(1,4)BENZODIAZEPINES AND INTERMEDIATES THEREFOR A.H. ROBINS COMPANY, INCORPORATED (US) 1990-08-16 EP disclosed
US-4668675-A ANTIDEPRESSANTS A. H. ROBINS COMPANY, INCORPORATED (US) 1987-05-26 US disclosed
US-4556667-A (2-((AMINOPYRIDINYL)AMINO)PHENYL)ARYLMETHANONE INTERMEDIATES A. H. ROBINS COMPANY, INCORPORATED (US) 1985-12-03 US disclosed
US-4447361-A ANTIDEPRESSANT A. H. ROBINS COMPANY, INC. (US) 1984-05-08 US disclosed
EP-0076017-A2 Phenyl substituted pyrido(1,4)benzodiazepines and intermediates therefor A.H. ROBINS COMPANY, INCORPORATED (US) 1983-04-06 EP disclosed