SCHEMBL7370004

SCHEMBL7370004

COc1ccc(CN)cc1OCCN1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.50
▸ DRD4 P21917 2/20 0.50
▸ DRD3 P35462 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ F10 P00742 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ POLB P06746 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ AURKA O14965 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ BACE1 P56817 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ KCNH2 Q12809 1/20 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
SCHEMBL7371157 0.89 DRD4 (0.58) DRD2DRD4DRD3MAPK1F10
SCHEMBL7369485 0.84 MAPK1 (0.58) MAPK1SIGMAR1KMT2AHSD17B10
SCHEMBL27459704 0.82 SLC29A1 (0.42) DRD2DRD4DRD3MAPK1F10
SCHEMBL7374932 0.82 MAPK1 (0.46) DRD2DRD4DRD3MAPK1F10
SCHEMBL8545193 0.81 KDM4E (0.54) MAPK1F10KMT2AKDM4EALDH1A1
SCHEMBL8488451 0.81 HTR1A (0.49) DRD2DRD4DRD3MAPK1KMT2A
SCHEMBL28610812 0.80 LTA4H (0.58) DRD2DRD4DRD3SIGMAR1KMT2A
SCHEMBL29995464 0.80 LTA4H (0.58) DRD2DRD4DRD3SIGMAR1KMT2A
SCHEMBL7374884 0.79 SPIN1 (0.54) SIGMAR1
SCHEMBL1334251 0.76 SIGMAR1 (0.56) SIGMAR1ALDH1A1SMN1; SMN2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706517-B1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL IND LTD (JP) 1998-10-21 — — EP 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