SCHEMBL31258197

SCHEMBL31258197

Clc1ccc(C2C=COCC2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.38
SLC6A4 P31645 10/20 0.38
SLC6A3 Q01959 8/20 0.38
KCNH2 Q12809 2/20 0.38
CYP2D6 P10635 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
TAAR1 Q96RJ0 1/20 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
SCHEMBL31258154 0.80 HTR3A (0.35) SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL31258243 0.73 KDM1A (0.39) SLC6A2SLC6A4SLC6A3KCNH2TAAR1
SCHEMBL8629822 0.72 TSHR (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL30954421 0.72 TSHR (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL31258282 0.71 KDM1A (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL31258173 0.71 GAA (0.41) NPSR1
SCHEMBL27286780 0.70 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL4574461 0.69 KDM1A (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL14893783 0.68 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL31258231 0.68 HTR2C (0.48) SLC6A2SLC6A4SLC6A3

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
CN-119039312-A Method for preparing medical intermediate 3-benzimidazoline coumarin pyranone derivative by catalyzing acid eutectic solvent 南京欣久医药科技有限公司 2024-11-29 CN disclosed