SCHEMBL9253620

SCHEMBL9253620

O=C1c2ccccc2C(=O)N1CCCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ HTR7 P34969 1/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ DGKA P23743 1/20 0.50
▸ DGKG P49619 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ DRD2 P14416 1/20 0.48

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
SCHEMBL9253169 0.93 MAPT (0.54) HTR1AKDM4ELMNAMAPTDGKA
SCHEMBL9257110 0.90 HTR1A (0.59) HTR1AHTR7DRD3MAOBDRD2
SCHEMBL9256672 0.87 HTR1A (0.59) HTR1AHTR7DRD3MAOBDRD2
SCHEMBL9252146 0.82 HTR1A (0.56) HTR1AHTR7
SCHEMBL10836350 0.81 ALDH1A1 (0.60) HTR1AKDM4ELMNAMAPK1MAOB
SCHEMBL9253664 0.78 HTR1A (0.49) HTR1AHTR7DRD3MAOBDRD2
SCHEMBL8316991 0.77 OPRM1 (0.52) KDM4ELMNAMAPTDGKADGKG
SCHEMBL16481498 0.77 OPRM1 (0.52) KDM4ELMNAMAPTDGKADGKG
SCHEMBL9231709 0.77 HTR1A (0.80) HTR1AKDM4ELMNAMAPK1DRD3
SCHEMBL13469510 0.77 HTR1A (0.79) HTR1ADRD3MAOBDRD2

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
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 — — US disclosed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 — — EP disclosed
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