SCHEMBL7916232

SCHEMBL7916232

CCC(N)(Cc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.52
HTR2A P28223 1/20 0.52
SLC6A4 P31645 1/20 0.52
HRH1 P35367 1/20 0.52
HTR2B P41595 1/20 0.52
CHRNA4 P43681 1/20 0.52
SLC6A3 Q01959 1/20 0.52
BLM P54132 1/20 0.45
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2D6 P10635 2/20 0.44
PPARA Q07869 2/20 0.44
ARG1 P05089 1/20 0.44
ARG2 P78540 1/20 0.44
NFKB1 P19838 1/20 0.44
PPARG P37231 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL7916235 1.00 SLC6A2 (0.52) SLC6A2HTR2ASLC6A4HRH1HTR2B
Hydrochloric Acid SCHEMBL7736853 0.98 SLC6A2 (0.50) SLC6A2HTR2ASLC6A4HRH1HTR2B
Hydrochloric Acid SCHEMBL7736852 0.98 SLC6A2 (0.50) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL27880111 0.90 SLC6A2 (0.49) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL5329866 0.84 BLM (0.64) BLMCYP3A4CYP1A2ARG1ARG2
SCHEMBL10935109 0.84 BLM (0.64) BLMCYP3A4CYP1A2ARG1ARG2
SCHEMBL5329860 0.84 BLM (0.64) BLMCYP3A4CYP1A2ARG1ARG2
SCHEMBL27880060 0.84 BLM (0.46) BLMCYP3A4CYP1A2ARG1ARG2
SCHEMBL2172319 0.84 SMN1; SMN2 (0.60) SLC6A2BLMCYP3A4CYP1A2CYP2C19
SCHEMBL9457635 0.84 SMN1; SMN2 (0.60) SLC6A2BLMCYP3A4CYP1A2CYP2C19

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-1073434-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-07 EP disclosed
WO-1999055330-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-04 WO disclosed