SCHEMBL7374884

SCHEMBL7374884

COc1ccc(CN)cc1OCCCN1CCN(C)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SPIN1 Q9Y657 2/20 0.54
▸ SIGMAR1 Q99720 3/20 0.50
▸ EBP Q15125 2/20 0.50
▸ SPIN4 Q56A73 1/20 0.50
▸ SPIN3 Q5JUX0 1/20 0.50
▸ SPIN2B Q9BPZ2 1/20 0.50
▸ TMEM97 Q5BJF2 1/20 0.50
▸ ABCB1 P08183 1/20 0.48
▸ EBPL Q9BY08 1/20 0.46
▸ HRH3 Q9Y5N1 2/20 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
SCHEMBL28610812 0.88 LTA4H (0.58) SPIN1SIGMAR1EBPTMEM97ABCB1
SCHEMBL29995464 0.88 LTA4H (0.58) SPIN1SIGMAR1EBPTMEM97ABCB1
SCHEMBL13058286 0.87 TSHR (0.57) SPIN1SIGMAR1HRH3
SCHEMBL7369533 0.87 SPIN1 (0.49) SPIN1SIGMAR1EBPSPIN4SPIN3
SCHEMBL7369485 0.87 MAPK1 (0.58) SIGMAR1EBPTMEM97EBPL
SCHEMBL30764769 0.84 EHMT2 (0.50) SPIN1ABCB1HRH3
SCHEMBL5103081 0.84 EHMT2 (0.50) SPIN1ABCB1HRH3
SCHEMBL7372119 0.81 HPGD (0.58) SIGMAR1
SCHEMBL7371157 0.80 DRD4 (0.58) SIGMAR1
SCHEMBL7370004 0.79 DRD2 (0.50) SIGMAR1

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-5929074-A VSODILATOR, ANTIALLERGIC AND ANTIPLATELET AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-27 — — US disclosed
EP-0706517-B1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL IND LTD (JP) 1998-10-21 — — EP disclosed
US-5728702-A BRONCHODILATOR AGENTS, ANTIALLERGENS OR ANTIPLATELET DRUGGS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-17 — — US disclosed
CN-1126470-A Pyridazinone derivatives NISSAN CHEMICAL IND LTD (JP) 1996-07-10 — — CN disclosed
EP-0706517-A1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-04-17 — — EP disclosed
WO-1995001343-A1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1995-01-12 — — WO disclosed
Send feedback