SCHEMBL7288482

SCHEMBL7288482

O=C(c1ccccc1)N1CCC(Nc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.69
ACHE P22303 1/20 0.61
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
L3MBTL3 Q96JM7 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
EPHX2 P34913 2/20 0.56
PTPN2 P17706 1/20 0.56
PTPN1 P18031 1/20 0.56
NOS3 P29474 1/20 0.55
NOS1 P29475 1/20 0.55
NOS2 P35228 1/20 0.55
HPGD P15428 1/20 0.54
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
SLC18A3 Q16572 1/20 0.52

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
SCHEMBL17875071 0.86 EPHX1 (0.78) EPHX1ACHEMEN1KMT2AL3MBTL3
SCHEMBL3111634 0.86 RHOC (0.62) EPHX1MEN1KMT2AEPHX2HPGD
SCHEMBL7297189 0.86 EPHX1 (0.57) EPHX1KMT2AEPHX2USP2
SCHEMBL7297976 0.86 EPHX1 (0.59) EPHX1ACHEMEN1KMT2AL3MBTL3
SCHEMBL641306 0.85 CCNC (0.57) EPHX1ACHEMEN1KMT2APTPN2
SCHEMBL3801054 0.85 SPR (0.50) EPHX1EPHX2ALDH1A1
SCHEMBL5145670 0.82 EPHX1 (1.00) EPHX1ACHEMEN1KMT2AL3MBTL3
SCHEMBL4369698 0.82 EPHX1 (0.82) EPHX1ACHEMEN1KMT2AL3MBTL3
SCHEMBL10293612 0.82 EPHX1 (0.71) EPHX1ACHEMEN1KMT2AL3MBTL3
SCHEMBL7465143 0.82 KDM4E (0.51) EPHX1EPHX2

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-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