SCHEMBL7344712

SCHEMBL7344712

CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2Cl)c2ccccc21

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.65
AVPR1A P37288 4/20 0.65
ABCB11 O95342 2/20 0.65
HTR1A P08908 2/20 0.65
CHRM1 P11229 2/20 0.65
OPRM1 P35372 2/20 0.65
OXTR P30559 1/20 0.65
SLC6A4 P31645 1/20 0.65
ADRA1A P35348 1/20 0.65
AVPR1B P47901 1/20 0.65
ADRB2 P07550 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
TBXA2R P21731 1/20 0.52
HTR2C P28335 1/20 0.52
HRH1 P35367 1/20 0.52
GLP1R P43220 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
FFAR4 Q5NUL3 1/20 0.52
GPR119 Q8TDV5 1/20 0.52

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
SCHEMBL4142479 0.93 AVPR2 (0.76) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL7345732 0.93 AVPR2 (0.70) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL7357390 0.92 AVPR2 (0.62) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL4686961 0.91 AVPR2 (0.54) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL7352501 0.91 AVPR2 (0.54) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL7345003 0.91 AVPR2 (0.60) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL7348173 0.91 AVPR2 (0.60) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL7344574 0.89 AVPR2 (0.81) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL7349399 0.88 AVPR2 (0.66) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL8628408 0.88 AVPR2 (0.51) AVPR2AVPR1AABCB11HTR1ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US disclosed
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed