SCHEMBL7357045

SCHEMBL7357045

O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.68
OXTR P30559 2/20 0.68
AVPR1A P37288 2/20 0.68
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
LMNA P02545 1/20 0.66
TP53 P04637 1/20 0.66

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
SCHEMBL6971626 0.84 AVPR2 (0.76) AVPR2OXTRAVPR1AMEN1KMT2A
SCHEMBL7351740 0.84 AVPR2 (0.94) AVPR2OXTRAVPR1A
SCHEMBL8562029 0.83 AVPR2 (0.58) AVPR2AVPR1ALMNATP53
SCHEMBL6969644 0.83 AVPR2 (0.70) AVPR2OXTRAVPR1AMEN1KMT2A
SCHEMBL7345982 0.82 RAB9A (0.78)
SCHEMBL7342875 0.82 AVPR2 (0.69) AVPR2OXTRAVPR1AMEN1KMT2A
SCHEMBL6971833 0.82 AVPR2 (0.79) AVPR2OXTRAVPR1AMEN1KMT2A
SCHEMBL8713738 0.82 AVPR1A (0.78) AVPR2OXTRAVPR1A
SCHEMBL6989154 0.82 AVPR1A (0.73) AVPR2OXTRAVPR1AMEN1KMT2A
SCHEMBL7351861 0.81 AVPR2 (0.81) AVPR2OXTRAVPR1A

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
CN-1048484-C A process for preparing a composition containing benzoheterocycles OTSUKA PHARMA CO LTD (JP) 2000-01-19 CN disclosed
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