SCHEMBL7290201

SCHEMBL7290201

Nc1ccc(N2C(=O)CCc3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HSD17B3 P37058 1/20 0.41
AVPR2 P30518 1/20 0.41
AVPR1A P37288 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
CA2 P00918 1/20 0.41
SRD5A1 P18405 2/20 0.41
GAA P10253 2/20 0.40
GFER P55789 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ATAD2 Q6PL18 1/20 0.39

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
SCHEMBL30293223 0.86 HPGD (0.70) HPGDPOLBMEN1KMT2AADRA2A
SCHEMBL5213974 0.86 HPGD (0.70) HPGDPOLBMEN1KMT2AADRA2A
SCHEMBL27296976 0.85 HPGD (0.74) HPGDMEN1KMT2AADRA2AADRA2B
Hydrochloric Acid SCHEMBL30293267 0.84 HPGD (0.68) HPGDPOLBMEN1KMT2AADRA2A
SCHEMBL5215688 0.83 HPGD (0.53) HPGDPOLBMEN1KMT2AGAA
SCHEMBL11692973 0.83 KMT2A (0.56) HPGDPOLBMEN1KMT2AHSD17B3
SCHEMBL13167920 0.83 HPGD (0.53) HPGDPOLBMEN1KMT2AALDH1A1
SCHEMBL6140745 0.80 CA12 (0.59) POLBMEN1KMT2ACA12CA1
SCHEMBL11696347 0.80 POLB (0.68) HPGDPOLBMEN1KMT2AGAA
SCHEMBL7287582 0.80 CA12 (0.68) HPGDPOLBMEN1KMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1036394-C Process for preparing quinolone derivatives OTSUKA PHARMA CO LTD (JP) 1997-11-12 CN disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
US-5356904-A Administering to prevent preterm labor in mammals MERCK & CO., INC. (US) 1994-10-18 US disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed