SCHEMBL7376797

SCHEMBL7376797

COc1ccc(CN2CCNCC2)cc1OCCN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ LTA4H P09960 2/20 0.57
▸ SIGMAR1 Q99720 3/20 0.56
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HTT P42858 1/20 0.53

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
SCHEMBL8489470 0.81 KDM4E (0.60) MAPK1LTA4HSIGMAR1KMT2AKDM4E
SCHEMBL4324560 0.81 CYP1A2 (0.57) MAPK1SIGMAR1NPC1RAB9AKMT2A
SCHEMBL29756433 0.81 CYP1A2 (0.57) MAPK1SIGMAR1NPC1RAB9AKMT2A
SCHEMBL11841171 0.81 CYP1A2 (0.57) MAPK1SIGMAR1NPC1RAB9AKMT2A
SCHEMBL7369485 0.81 MAPK1 (0.58) MAPK1HSD17B10SIGMAR1KMT2A
SCHEMBL3436048 0.80 POLB (0.55) LTA4HSIGMAR1KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL10407517 0.80 APOBEC3A (0.58) MAPK1SIGMAR1NPC1RAB9AKMT2A
SCHEMBL7372045 0.79 ALDH1A1 (0.54) MAPK1HSD17B10SIGMAR1KMT2AKDM4E
SCHEMBL14860185 0.78 MAPK1 (0.63) MAPK1HSD17B10SIGMAR1NPC1RAB9A
Hydrochloric Acid SCHEMBL8082237 0.77 SIGMAR1 (0.76) SIGMAR1NPC1RAB9A

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 2 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
WO-1995001343-A1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1995-01-12 — — WO disclosed
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