SCHEMBL11200726

SCHEMBL11200726

CCCc1ccccc1C(C)N

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39
PNMT P11086 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
CYSLTR2 Q9NS75 2/20 0.36
CYSLTR1 Q9Y271 2/20 0.36
TSHR P16473 1/20 0.36
HTR1A P08908 1/20 0.35

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
SCHEMBL10439471 0.85 ADRA2A (0.42) ADRA2AADRA2BADRA2CSLC6A2SLC6A4
SCHEMBL14840158 0.85 ADRA2A (0.42) ADRA2AADRA2BADRA2CSLC6A2SLC6A4
SCHEMBL9621039 0.83 ADRA2A (0.46) ADRA2AADRA2BADRA2CSLC6A2SLC6A4
SCHEMBL4843352 0.83 ADRA2A (0.46) ADRA2AADRA2BADRA2CSLC6A2CYP1A2
SCHEMBL25066278 0.83 CYP2D6 (0.42) SLC6A2SLC6A4SLC6A3CYP2D6CYP1A2
SCHEMBL8285923 0.83 CYP2D6 (0.42) SLC6A2SLC6A4SLC6A3CYP2D6CYP1A2
SCHEMBL13795689 0.83 CYP2D6 (0.42) SLC6A2SLC6A4SLC6A3CYP2D6CYP1A2
SCHEMBL14511351 0.82 ADRA2A (0.40) ADRA2AADRA2BADRA2CSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4936305 0.81 ALDH1A1 (0.44) SLC6A2SLC6A4SLC6A3CYP2D6CYP1A2
Hydrochloric Acid SCHEMBL14120793 0.81 ALDH1A1 (0.44) SLC6A2SLC6A4SLC6A3CYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58052204-A None JP disclosed
CN-1267501-C Light sensitivity resin precursor compsn. TORAY INDUSTRIES (JP) 2006-08-02 CN disclosed
CN-1154708-C Chemical-ray sensitive polymer composition 东丽株式会社 2004-06-23 CN disclosed
CN-1480491-A Light sensitivity resin precursor compsn. ������������ʽ���� 2004-03-10 CN disclosed
CN-1201061-A Chemical-ray sensitive polymer composition TORAY CO LTD (JP) 1998-12-09 CN disclosed
JP-S5852204-A EMULSIFYING AGENT COMPOSITION FOR CONCENTRATED DRUG AND EMULSION FOR EPIDEMIC PREVENTION TOHO CHEM IND CO LTD 1983-03-28 JP disclosed