SCHEMBL8156142

SCHEMBL8156142

O=C(Nc1cccc2c(=O)cc(-c3nnn[nH]3)oc12)c1ccc(OCCCCCCCCl)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 18/20 0.64
CYSLTR1 Q9Y271 18/20 0.64
ABCC4 O15439 1/20 0.60
ABCB11 O95342 1/20 0.60
PGR P06401 1/20 0.60
HTR1A P08908 1/20 0.60
AR P10275 1/20 0.60
CHRM1 P11229 1/20 0.60
DRD1 P21728 1/20 0.60
PTGS1 P23219 1/20 0.60
SLC6A2 P23975 1/20 0.60
PDE4A P27815 1/20 0.60
ADORA1 P30542 1/20 0.60
ADRA1A P35348 1/20 0.60
OPRM1 P35372 1/20 0.60
DRD3 P35462 1/20 0.60
SLC6A3 Q01959 1/20 0.60
GPR17 Q13304 1/20 0.60
NR1H4 Q96RI1 1/20 0.60
GPR35 Q9HC97 1/20 0.53

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
SCHEMBL8156567 1.00 CYSLTR2 (0.64) CYSLTR2CYSLTR1ABCC4ABCB11PGR
SCHEMBL8163008 1.00 CYSLTR2 (0.64) CYSLTR2CYSLTR1ABCC4ABCB11PGR
SCHEMBL8148825 1.00 CYSLTR2 (0.64) CYSLTR2CYSLTR1ABCC4ABCB11PGR
SCHEMBL8165079 0.99 CYSLTR2 (0.64) CYSLTR2CYSLTR1ABCC4ABCB11PGR
SCHEMBL8158610 0.93 CYSLTR2 (0.75) CYSLTR2CYSLTR1ABCC4ABCB11PGR
SCHEMBL6960696 0.93 CYSLTR2 (0.75) CYSLTR2CYSLTR1ABCC4ABCB11PGR
SCHEMBL8157577 0.93 CYSLTR2 (0.75) CYSLTR2CYSLTR1ABCC4ABCB11PGR
SCHEMBL6951828 0.93 CYSLTR2 (0.75) CYSLTR2CYSLTR1ABCC4ABCB11PGR
SCHEMBL8162439 0.93 CYSLTR2 (0.75) CYSLTR2CYSLTR1ABCC4ABCB11PGR
SCHEMBL8155791 0.92 CYSLTR2 (0.75) CYSLTR2CYSLTR1ABCC4ABCB11PGR

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
EP-0173516-B1 (Fused)benz(thio)amides ONO PHARMACEUTICAL CO (JP) 1993-12-01 EP claimed
US-6046183-A SYNERGISTIC MIXTURE OF FINASTERIDE AND DOXAZOSIN MERCK & CO., INC. (US) 2000-04-04 US disclosed
US-5994362-A ADMINISTERING FINASTERIDE AND CASODEX MERCK & CO., INC. (US) 1999-11-30 US disclosed
WO-1992018132-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COMTAINING A 5 ALPHA-REDUCTASE INHIBITOR MERCK & CO., INC. (US) 1992-10-29 WO disclosed
WO-1992016213-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 WO disclosed
WO-1992016233-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC CANCER CONTAINING A 5 ALPHA REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 WO disclosed