SCHEMBL9518976

SCHEMBL9518976

c1ccc2[nH]c(CCCCN3CCCCC3)nc2c1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.68
POLB P06746 1/20 0.67
PARP1 P09874 1/20 0.63
DRD2 P14416 2/20 0.60
DRD3 P35462 2/20 0.60
HTR1A P08908 2/20 0.60
HTR7 P34969 2/20 0.60
HRH1 P35367 1/20 0.60
DRD4 P21917 2/20 0.60
CHRNA7 P36544 1/20 0.56
LTA4H P09960 1/20 0.55

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
SCHEMBL9520094 0.96 HTT (0.69) HTTPOLBPARP1DRD2DRD3
SCHEMBL9518726 0.94 DRD2 (0.67) HTTPOLBPARP1DRD2DRD3
SCHEMBL29370038 0.88 HTT (0.70) HTTPOLBPARP1DRD2DRD3
SCHEMBL7006523 0.82 POLB (1.00) POLB
SCHEMBL15063202 0.81 HTT (1.00) HTTDRD2DRD4
SCHEMBL31010306 0.81 HTT (1.00) HTTDRD2DRD4
SCHEMBL22633621 0.81 HTT (1.00) HTTDRD2DRD4
SCHEMBL5337358 0.80 CHRNA7 (0.62) POLBPARP1DRD2DRD3HTR1A
SCHEMBL7856311 0.80 POLB (0.96) POLB
SCHEMBL7856315 0.80 POLB (0.96) POLB

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-0350467-B1 Pharmacologically active benzimidazole derivatives DOMPE FARMACEUTICI SPA (IT) 1993-12-29 EP disclosed
US-4971980-A ANTIHISTAMINES DOMPE FARMACEUTICI S.P.A. (IT) 1990-11-20 US disclosed