SCHEMBL7271018

SCHEMBL7271018

CCCCCn1cc(C(=O)OCC2CCCCN2C)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.57
CNR2 P34972 3/20 0.56
CHRNB2 P17787 1/20 0.52
CHRNA5 P30532 1/20 0.52
CHRNA7 P36544 1/20 0.52
CHRNA4 P43681 1/20 0.52

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
SCHEMBL7276531 0.86 CNR1 (0.56) CNR1CNR2CHRNB2CHRNA5CHRNA7
SCHEMBL7276038 0.85 CHRNB2 (0.58) CNR1CNR2CHRNB2CHRNA5CHRNA7
SCHEMBL2049777 0.79 MEN1 (0.60) CNR1CNR2
SCHEMBL2033984 0.76 CNR1 (0.63) CNR1CNR2
SCHEMBL9342314 0.75 HTR4 (0.58)
SCHEMBL7280159 0.74 NR4A2 (0.57) CNR1CNR2
SCHEMBL8802608 0.74 CHRNB2 (0.57) CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL7269469 0.74 CYP2D6 (0.60) CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL7269463 0.74 CYP2D6 (0.60) CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL7271039 0.74 CYP2D6 (0.60) CHRNB2CHRNA5CHRNA7CHRNA4

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
EP-0429984-B1 Indole derivatives NISSHIN FLOUR MILLING CO (JP) 1997-07-23 EP disclosed
US-5124324-A Psychological disorders, 5-hydroxy tryptamine antagonists NISSHIN FLOUR MILLING CO., LTD. (JP) 1992-06-23 US disclosed
EP-0429984-A2 Indole derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1991-06-05 EP disclosed