SCHEMBL6843564

SCHEMBL6843564

N#Cc1cccnc1N1CCN(CCCn2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 6/20 0.62
▸ HTR2A P28223 6/20 0.62
▸ HTR7 P34969 10/20 0.61
▸ HTR1A P08908 5/20 0.56
▸ LMNA P02545 2/20 0.55
▸ HTR6 P50406 1/20 0.55
▸ DRD4 P21917 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ MLNR O43193 1/20 0.53
▸ NR1I2 O75469 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CHRM2 P08172 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ ADORA3 P0DMS8 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CHRM1 P11229 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ ADRA2C P18825 1/20 0.53
▸ CHRM3 P20309 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
SCHEMBL6843577 0.80 HTR7 (0.69) DRD2HTR2AHTR7HTR1ALMNA
SCHEMBL8134762 0.80 HTR7 (0.72) DRD2HTR2AHTR7HTR1ALMNA
SCHEMBL6844235 0.80 HTR7 (0.60) DRD2HTR2AHTR7HTR1ALMNA
SCHEMBL29876367 0.79 HTR7 (0.73) DRD2HTR2AHTR7HTR1ALMNA
SCHEMBL10834835 0.77 DRD2 (0.70) DRD2HTR2AHTR7HTR1ADRD4
SCHEMBL27031071 0.77 HTR7 (0.70) DRD2HTR2AHTR7HTR1ALMNA
SCHEMBL9778482 0.77 HTR7 (0.70) DRD2HTR2AHTR7HTR1ALMNA
SCHEMBL6839185 0.76 HTR7 (0.65) DRD2HTR2AHTR7HTR1ALMNA
SCHEMBL11171863 0.76 DRD2 (0.64) DRD2HTR2AHTR7HTR1ADRD4
SCHEMBL8406460 0.75 DRD4 (0.48) DRD2HTR2AHTR7HTR1ADRD4

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
US-20040116443-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC 2004-06-17 — — US disclosed
EP-1177792-A2 Dopamine D4 Ligands for the treatment of novelty-seeking disorders Pfizer Products Inc. (US) 2002-02-06 — — EP disclosed
US-5883094-A Benzimidazolone derivatives with central dopaminergic activity PFIZER INC. (US) 1999-03-16 — — US disclosed
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