SCHEMBL7350319

SCHEMBL7350319

CN1CCN(C(=O)c2ccc(N)cc2)c2ccccc2C1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.64
AVPR1A P37288 7/20 0.64
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 2/20 0.53
NPC1 O15118 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 3/20 0.51
TSHR P16473 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
OXTR P30559 3/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL7352814 0.92 AVPR2 (0.68) AVPR2AVPR1ARAB9ASMN1; SMN2HPGD
SCHEMBL7349938 0.86 LMNA (0.53) AVPR2AVPR1ARAB9ASMN1; SMN2HPGD
SCHEMBL7352773 0.84 RAB9A (0.48) AVPR2AVPR1ARAB9ASMN1; SMN2HPGD
SCHEMBL7348443 0.83 AVPR2 (0.60) AVPR2AVPR1ARAB9ASMN1; SMN2HPGD
SCHEMBL7351785 0.83 AVPR2 (0.60) AVPR2AVPR1ARAB9ASMN1; SMN2HPGD
SCHEMBL7351282 0.82 HPGD (0.57) RAB9ASMN1; SMN2HPGDNPC1KMT2A
SCHEMBL7353003 0.81 RAB9A (0.68) AVPR2AVPR1ARAB9ASMN1; SMN2HPGD
SCHEMBL7352132 0.81 PDE4A (0.57) AVPR2AVPR1ARAB9ASMN1; SMN2HPGD
SCHEMBL7345789 0.80 AVPR2 (0.50) AVPR2RAB9ASMN1; SMN2NPC1
SCHEMBL7350669 0.80 AVPR2 (0.58) AVPR2AVPR1ARAB9ASMN1; SMN2HPGD

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
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
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed