SCHEMBL3728429

SCHEMBL3728429

CCCC(Cl)C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
PGR P06401 1/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
HTR2A P28223 1/20 0.50
HRH1 P35367 1/20 0.50
KCNH2 Q12809 1/20 0.50
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ATM Q13315 3/20 0.47
MAPK1 P28482 2/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
CES2 O00748 5/20 0.46
CES1 P23141 5/20 0.46
MDM2 Q00987 1/20 0.46
PRSS1 P07477 1/20 0.45
CTSG P08311 1/20 0.45
CTRB1 P17538 1/20 0.45

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
SCHEMBL633402 0.91 SLC6A2 (0.50) SLC6A2SLC6A3PGRADRA2AADRA2B
SCHEMBL633949 0.88 CES2 (0.50) SLC6A2SLC6A3PGRADRA2AADRA2B
SCHEMBL633350 0.86 PGR (0.52) SLC6A2SLC6A3PGRADRA2AADRA2B
SCHEMBL633684 0.84 MAPK1 (0.47) SLC6A2SLC6A3PGRADRA2AADRA2B
SCHEMBL8967748 0.82 MDM2 (0.44) SLC6A2SLC6A3PGRADRA2AADRA2B
SCHEMBL5711615 0.82 SLC6A2 (0.49) SLC6A2SLC6A3PGRADRA2AADRA2B
SCHEMBL434807 0.82 MDM2 (0.57) SLC6A2SLC6A3PGRADRA2AADRA2B
SCHEMBL9889372 0.82 MAPT (0.58) SLC6A2SLC6A3PGRADRA2AADRA2B
SCHEMBL27881526 0.81 NPC1 (0.52) NPC1RAB9AMAPTHTTL3MBTL1
SCHEMBL29066943 0.81 MDM2 (0.43) SLC6A2SLC6A3PGRADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010121022-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE (US) 2010-10-21 WO disclosed
EP-0465323-A1 Pyrimidin derivatives, angiotensin II receptor antagonists, their process of preparation and pharmaceutical compositions containing them LABORATOIRES UPSA (FR) 1992-01-08 EP disclosed
EP-0069536-B1 PHLOROPHENONE DERIVATIVES, PROCESSES FOR PREPARING SUCH COMPOUNDS, USES AND PHARMACEUTICAL COMPOSITIONS OF PHLOROPHENONE COMPOUNDS NORISTAN LIMITED (ZA) 1986-12-17 EP disclosed
US-4578520-A Phlorophenone derivatives, processes for preparing such compounds, uses and pharmaceutical compositions of phlorophenone compounds NORISTAN LIMITED (ZA) 1986-03-25 US disclosed
US-4503256-A BACTERICIDES, FUNGICIDES NORISTAN LIMITED (ZA) 1985-03-05 US disclosed
US-4410536-A 7,8,9,10-Tetrahydrothieno[3,2-e]pyrido[4,3-b]indole compounds and their anti-depressant use TROPONWERKE GMBH & CO. K.G. (DE) 1983-10-18 US disclosed
EP-0069536-A1 Phlorophenone derivatives, processes for preparing such compounds, uses and pharmaceutical compositions of phlorophenone compounds NORISTAN LIMITED (ZA) 1983-01-12 EP disclosed
US-4344957-A Benz-acyl-benzimidazole derivatives and antiallergic compositions CIBA-GEIGY CORPORATION (US) 1982-08-17 US disclosed
EP-0000574-B1 BENZIMIDAZOLE-2 DERIVATIVES, THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF MEDICAMENTS CIBA-GEIGY AG (CH) 1982-08-04 EP disclosed
EP-0012347-B1 7,8,9,10-TETRAHYDROTHIENO(3,2-E)PYRIDO(4,3-B)INDOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Troponwerke GmbH & Co. KG (DE) 1982-07-28 EP disclosed
US-4323688-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1982-04-06 US disclosed
US-4213993-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1980-07-22 US disclosed
EP-0012347-A1 7,8,9,10-Tetrahydrothieno(3,2-e)pyrido(4,3-b)indoles, process for their preparation and medicaments containing them Troponwerke GmbH & Co. KG (DE) 1980-06-25 EP disclosed
US-4141982-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed
EP-0000574-A1 Benzimidazole-2 derivatives, their preparation and their use for the preparation of medicaments CIBA-GEIGY AG (CH) 1979-02-07 EP disclosed