SCHEMBL5327707

SCHEMBL5327707

Clc1ccc(Cl)c(OC[C@@H]2[C@@H]3CNC[C@@H]32)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.46
HTR6 P50406 2/20 0.46
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.40
SSTR4 P31391 1/20 0.39

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
SCHEMBL5327705 1.00 SLC6A4 (0.46) SLC6A4HTR6CYP1A2CYP2D6CYP2C9
SCHEMBL5329150 1.00 SLC6A4 (0.46) SLC6A4HTR6CYP1A2CYP2D6CYP2C9
SCHEMBL23105313 0.76 NPC1 (0.43) SLC6A4CYP2D6HTR2CHTR2BSSTR4
SCHEMBL23105314 0.76 NPC1 (0.43) SLC6A4CYP2D6HTR2CHTR2BSSTR4
SCHEMBL29569182 0.76 NPC1 (0.43) SLC6A4CYP2D6HTR2CHTR2BSSTR4
SCHEMBL15372401 0.76 CYP1A2 (0.44) SLC6A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5322220 0.75 TAAR1 (0.47) SLC6A4HTR6CYP1A2CYP2D6CYP2C9
SCHEMBL5322223 0.75 TAAR1 (0.47) SLC6A4HTR6CYP1A2CYP2D6CYP2C9
SCHEMBL5322226 0.75 TAAR1 (0.47) SLC6A4HTR6CYP1A2CYP2D6CYP2C9
SCHEMBL4500135 0.75 SLC6A4 (0.52) SLC6A4HTR6CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007135529-A2 AZABENZIMIDAZOLYL COMPOUNDS AS MGLUR2 POTENTIATORS PFIZER PRODUCTS INC. (US) 2007-11-29 WO disclosed