SCHEMBL9023706

SCHEMBL9023706

c1ccc(Cn2c(N3CCCNCCC3)nc3ccccc32)cc1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 7/20 0.85
▸ SOS1 Q07889 2/20 0.61

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
Lerisetron SCHEMBL30669539 0.92 HTR3A (1.00) HTR3ASOS1
Lerisetron SCHEMBL141124 0.92 HTR3A (1.00) HTR3ASOS1
SCHEMBL8879490 0.91 HTR3A (0.71) HTR3ASOS1
Lerisetron SCHEMBL29040939 0.91 HTR3A (0.97) HTR3ASOS1
SCHEMBL8881095 0.90 HTR3A (0.86) HTR3ASOS1
SCHEMBL7341277 0.89 HTR3A (0.75) HTR3A
SCHEMBL7623108 0.88 HTR3A (0.91) HTR3ASOS1
SCHEMBL7168715 0.87 HTR3A (0.81) HTR3A
SCHEMBL7431298 0.82 HTR3A (1.00) HTR3ASOS1
SCHEMBL20715423 0.81 CYP2D6 (0.66) HTR3ASOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699668-A1 1-(2-BENZIMIDAZOLYL)-1,5-DIAZACYCLOOCTANE DERIVATIVE Kissei Pharmaceutical Co., Ltd. (JP) 1996-03-06 — — EP disclosed
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