SCHEMBL8536813

SCHEMBL8536813

COc1ccc(OCCCCCCN2CCCC2)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C19 P33261 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.57
HRH3 Q9Y5N1 7/20 0.57
MAOA P21397 2/20 0.56
MAOB P27338 2/20 0.56
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 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
SCHEMBL8903264 0.84 MAPT (0.60) CYP1A2CYP2D6CYP2C19L3MBTL1SMN1; SMN2
SCHEMBL7394086 0.82 SMN1; SMN2 (0.73) CYP1A2CYP2D6CYP2C19L3MBTL1SMN1; SMN2
SCHEMBL24163549 0.82 SMN1; SMN2 (0.73) CYP1A2CYP2D6CYP2C19L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL9219982 0.82 KDM4E (0.49) HRH3MAOAMAOBKDM4EKMT2A
Hydrochloric Acid SCHEMBL7401914 0.81 SMN1; SMN2 (0.71) CYP1A2CYP2D6CYP2C19L3MBTL1SMN1; SMN2
SCHEMBL492263 0.80 MEN1 (0.71) L3MBTL1LMNAHRH3MAOAMAOB
SCHEMBL5483838 0.80 HRH3 (0.83) HRH3MEN1KMT2A
SCHEMBL7392197 0.79 POLB (0.74) L3MBTL1LMNAHRH3MAOAMAOB
Hydrochloric Acid SCHEMBL9216412 0.78 DRD3 (0.54) KDM4EALDH1A1KMT2A
SCHEMBL7398924 0.78 KDM4E (0.73) SMN1; SMN2HRH3KDM4EPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274867-A2 Pharmaceutically active compounds SCHERING CORPORATION (US) 1988-07-20 EP claimed
US-5750532-A TETRAHYDROPYRIMIDINE-2,4-DIONE DERIVATIVES, VIRICIDES, ANTIINFLAMMATORY AGENTS, PAF INHIBITORS SCHERING CORPORATION (US) 1998-05-12 US disclosed
US-5459144-A Enterovirus and rhinovirus antiviral, antiinflammatory and antagonist of platelet activating factor SCHERING CORPORATION (US) 1995-10-17 US disclosed
US-5272167-A Pharmaceutically active compounds SCHERING CORPORATION (US) 1993-12-21 US disclosed
EP-0560407-A1 Pharmaceutically active compounds SCHERING CORPORATION (US) 1993-09-15 EP disclosed
WO-1991000858-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS SCHERING CORPORATION (US) 1991-01-24 WO disclosed
EP-0407217-A1 Pharmaceutically active compounds SCHERING CORPORATION (US) 1991-01-09 EP disclosed
US-4851423-A Pharmaceutically active compounds SCHERING CORPORATION (US) 1989-07-25 US disclosed
EP-0274867-A2 Pharmaceutically active compounds SCHERING CORPORATION (US) 1988-07-20 EP disclosed