SCHEMBL7390254

SCHEMBL7390254

BrCCC1(c2ccccc2)OCCO1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOB P27338 5/20 0.32
MAOA P21397 4/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
Phosphine SCHEMBL9482786 0.98 L3MBTL1 (0.44) L3MBTL1TSHRMAPK1SMN1; SMN2CHRM2
SCHEMBL9531677 0.89 MAPK1 (0.38) L3MBTL1TSHRMAPK1SMN1; SMN2SIGMAR1
SCHEMBL4783521 0.89 L3MBTL1 (0.43) L3MBTL1TSHRMAPK1SMN1; SMN2CHRM2
SCHEMBL169659 0.83 L3MBTL1 (0.47) L3MBTL1TSHRMAPK1SMN1; SMN2CHRM2
SCHEMBL11239353 0.82 TSHR (0.38) L3MBTL1TSHRMAPK1SMN1; SMN2CHRM2
SCHEMBL10339449 0.82 L3MBTL1 (0.46) L3MBTL1TSHRMAPK1SMN1; SMN2CHRM2
SCHEMBL28011963 0.81 MAOA (0.36) TSHRMAPK1ALDH1A1MAOBMAOA
SCHEMBL28011998 0.81 EGFR (0.40) SMN1; SMN2MEN1KMT2AMAOBMAOA
SCHEMBL9341769 0.80 TSHR (0.45) L3MBTL1TSHRMAPK1SMN1; SMN2CHRM2
SCHEMBL12667546 0.80 L3MBTL1 (0.45) L3MBTL1TSHRMAPK1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5864039-A THERAPEUTIC TREATMENT OF VARIOUS GASTROINTESTINAL DISEASES, CENTRAL NERVOUS DISORDERS, CARDIOVASCULAR DISORDERS, URINARY DISEASES, UROGENITAL DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-01-26 US disclosed
EP-0873990-A1 BENZOIC ACID COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-10-28 EP disclosed
US-5235063-A Acetal derivatives of 3-aryl-2-oxazolidine; antidepressants DELALANDE S.A. (FR) 1993-08-10 US disclosed
US-5171747-A Anxiolytic agents, antidepressants DELALANDE S.A. (FR) 1992-12-15 US disclosed
US-5036091-A Psychotropic drugs DELALANDE S.A. (FR) 1991-07-30 US disclosed
US-5036090-A Antidepressants DELALANDE S.A. (FR) 1991-07-30 US disclosed