SCHEMBL31258154

SCHEMBL31258154

Clc1ccc(C2C=COCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRNA7 P36544 1/20 0.34
SLC9A1 P19634 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
DRD2 P14416 1/20 0.32
LMNA P02545 1/20 0.31
CYP2A6 P11509 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
PTGS2 P35354 1/20 0.30

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
SCHEMBL31258243 0.81 KDM1A (0.39) SLC6A2SLC6A4SLC6A3TAAR1CYP2A6
SCHEMBL31258197 0.80 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL8629822 0.80 TSHR (0.37) SLC6A2SLC6A4SLC6A3HTR2B
SCHEMBL30954421 0.80 TSHR (0.37) SLC6A2SLC6A4SLC6A3HTR2B
SCHEMBL4574461 0.77 KDM1A (0.41) SLC6A2SLC6A4SLC6A3DRD2HTR2C
SCHEMBL31258173 0.75 GAA (0.41) HTR2AHTR2CHTR2B
SCHEMBL16398624 0.69 ALOX15 (0.38) HTR3ASLC6A2SLC6A4SLC6A3DRD2
SCHEMBL16398622 0.69 ALOX15 (0.38) HTR3ASLC6A2SLC6A4SLC6A3DRD2
SCHEMBL31258282 0.68 KDM1A (0.42) SLC6A2SLC6A4SLC6A3DRD2HTR2A
SCHEMBL18312349 0.67 HTR3A (0.40) HTR3ASLC6A2SLC6A4SLC6A3DRD2

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