SCHEMBL9868892

SCHEMBL9868892

O=C(Cl)c1cc(Cl)cc2c1OCCC2

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.43
PARP1 P09874 2/20 0.40
NOTUM Q6P988 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
SCHEMBL7335337 0.87 HTR3A (0.43) HTR3APARP1NOTUM
Hydrochloric Acid SCHEMBL11514098 0.86 HTR3A (0.43) HTR3APARP1NOTUM
SCHEMBL7324153 0.83 HTR3A (0.43) HTR3APARP1NOTUM
SCHEMBL8366432 0.82 HTR3A (0.43) HTR3APARP1
SCHEMBL30094449 0.77 HTR3A (0.51) HTR3APARP1
SCHEMBL4387990 0.77 HTR3A (0.51) HTR3APARP1
SCHEMBL23505785 0.75 NOTUM (0.49) HTR3ANOTUM
SCHEMBL219830 0.75 HTR3A (0.50) HTR3APARP1
SCHEMBL11262018 0.75 TDP1 (0.39) HTR3A
SCHEMBL24252953 0.73 NOTUM (0.38) HTR3ANOTUM

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
US-5006570-A Dihydrobenzofuran- and chroman-carboxamide derivatives, processes for the preparation thereof and use thereof as neuroleptics LABORATOIRES DELAGRANGE (FR) 1991-04-09 US disclosed
US-4158063-A Acylamino(alkyl)benzene derivatives and process for preparing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-06-12 US disclosed