SCHEMBL7345994

SCHEMBL7345994

CNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2Cl)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 8/20 0.53
AVPR1A P37288 6/20 0.53
ABCB11 O95342 1/20 0.53
ADRB2 P07550 1/20 0.53
HTR1A P08908 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CHRM1 P11229 1/20 0.53
TBXA2R P21731 1/20 0.53
HTR2C P28335 1/20 0.53
HRH1 P35367 1/20 0.53
OPRM1 P35372 1/20 0.53
GLP1R P43220 1/20 0.53
TMEM97 Q5BJF2 1/20 0.53
FFAR4 Q5NUL3 1/20 0.53
GPR119 Q8TDV5 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
SCHEMBL4148659 0.93 AVPR2 (0.62) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL7344593 0.90 AVPR2 (0.50) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL7356029 0.90 AVPR2 (0.49) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL7346236 0.89 AVPR1A (0.63) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL7344712 0.86 AVPR2 (0.65) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL7358816 0.85 AVPR2 (0.62) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL7356831 0.85 AVPR2 (0.72) AVPR2AVPR1AABCB11ADRB2HTR1A
Hydrochloric Acid SCHEMBL7347265 0.84 AVPR2 (0.48) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL7346230 0.84 AVPR2 (0.61) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL7346839 0.84 AVPR2 (0.53) AVPR2AVPR1AABCB11ADRB2HTR1A

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