SCHEMBL8685441

SCHEMBL8685441

c1ccc2cc(OCCn3ccnc3)ccc2c1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.70
LTA4H P09960 1/20 0.64
CYP19A1 P11511 1/20 0.63
KMT2A Q03164 1/20 0.63
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
MAPK1 P28482 1/20 0.62
POLB P06746 1/20 0.62
NOS1 P29475 1/20 0.58

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
SCHEMBL9265281 0.90 CYP1A2 (0.67) KMT2AKDM4EALDH1A1MAPK1NOS1
SCHEMBL10370478 0.83 TBXAS1 (1.00) TBXAS1LTA4HKMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9996050 0.81 TBXAS1 (0.97) TBXAS1LTA4HKMT2AKDM4EALDH1A1
SCHEMBL7590379 0.81 ALDH1A1 (0.60) TBXAS1LTA4HCYP19A1KDM4EALDH1A1
SCHEMBL9451380 0.78 TBXAS1 (0.68) TBXAS1KMT2AKDM4EALDH1A1NOS1
SCHEMBL7132156 0.78 LTA4H (1.00) TBXAS1LTA4HKMT2AKDM4EALDH1A1
SCHEMBL12382 0.78 KMT2A (0.87) TBXAS1KMT2AKDM4EALDH1A1POLB
SCHEMBL1928520 0.78 TBXAS1 (0.68) TBXAS1KMT2AKDM4EALDH1A1NOS1
SCHEMBL3581172 0.78 ALDH1A1 (0.85) TBXAS1KMT2AKDM4EALDH1A1MAPK1
SCHEMBL11977009 0.78 TBXAS1 (0.63) TBXAS1KMT2AKDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US claimed
JP-58018366-A None JP disclosed
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US disclosed
JP-S5818366-A NOVEL 1-ARYLOXYETHYLIMIDAZOLE DERIVATIVE, ITS PREPARATION AND INHIBITOR OF BLOOD PLATELET AGGLUTINATION CONTAINING THE SAME TEIJIN LTD 1983-02-02 JP disclosed