SCHEMBL8658459

SCHEMBL8658459

CC1CCN(CCOc2ccccc2C(=O)Cl)C1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.56
ALDH1A1 P00352 7/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
LMNA P02545 2/20 0.53
HTR7 P34969 4/20 0.50
GAA P10253 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
PKM P14618 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPK1 P28482 1/20 0.48
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
DRD3 P35462 1/20 0.48
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL9075889 0.88 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8653337 0.84 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21750486 0.81 KDM4E (0.70) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8337315 0.80 DRD1 (0.71) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8336449 0.79 DRD2 (0.69) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21750481 0.79 KMT2A (0.70) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21750484 0.79 ALDH1A1 (0.70) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL8336215 0.78 DRD2 (0.67) KDM4ESMN1; SMN2MEN1KMT2AGAA
SCHEMBL8653340 0.78 DRD2 (0.52) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7761407 0.78 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2LMNADRD2

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-5792870-A 2-amino-3-aroyl-benzo β!thiophenes and methods for preparing and using same to produce 6-hdyroxy-2-(4-hydroxyphenyl)-3- 4-(2-aminoethoxy)-benzoyl!benzo β!thiophenes ELI LILLY AND COMPANY (US) 1998-08-11 US disclosed
US-5512684-A Process for preparing 3-(4-aminoethoxy-benzoyl) benzo B!-thiophenes ELI LILLY AND COMPANY (US) 1996-04-30 US disclosed