SCHEMBL7353012

SCHEMBL7353012

Nc1ccc(C(=O)N2CCCOc3ccccc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
AVPR2 P30518 6/20 0.60
AVPR1A P37288 5/20 0.60
P2RX4 Q99571 1/20 0.52
NOTUM Q6P988 1/20 0.50
NR3C2 P08235 1/20 0.49
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
CTSD P07339 1/20 0.46
PDK1 Q15118 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
OXTR P30559 2/20 0.44

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
SCHEMBL6955225 0.82 AVPR2 (0.73) AVPR2AVPR1AP2RX4ALDH1A1TSHR
SCHEMBL7345437 0.82 POLB (0.58) POLBP2RX4NOTUMNR3C2USP2
SCHEMBL19859267 0.80 NOTUM (0.58) POLBNOTUMHDAC1HDAC6LMNA
SCHEMBL16193763 0.80 POLB (0.78) POLBP2RX4NOTUMNR3C2ALDH1A1
SCHEMBL2933189 0.79 AVPR2 (0.52) POLBAVPR2NOTUMNR3C2HDAC1
SCHEMBL4898768 0.79 POLB (0.77) POLBNOTUMNR3C2ALDH1A1LMNA
SCHEMBL5015512 0.79 POLB (0.77) POLBNOTUMNR3C2ALDH1A1CTSD
SCHEMBL4899011 0.78 POLB (0.60) POLBAVPR2NOTUMNR3C2HDAC1
SCHEMBL2933193 0.78 AVPR2 (0.59) POLBAVPR2NOTUMNR3C2USP2
SCHEMBL25429794 0.76 GRM7 (0.54) POLBNOTUMHDAC1HDAC6LMNA

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