SCHEMBL9867159

SCHEMBL9867159

NCCCN1CC=C(c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.60
HTR1A P08908 1/20 0.57
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
KCNA3 P22001 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
Hydrochloric Acid SCHEMBL9868303 0.98 SIGMAR1 (0.59) SIGMAR1HTR1ADRD2DRD4DRD3
SCHEMBL7297566 0.95 SIGMAR1 (0.63) SIGMAR1HTR1ADRD2DRD4DRD3
Hydrochloric Acid SCHEMBL7299927 0.94 SIGMAR1 (0.61) SIGMAR1HTR1ADRD2DRD4DRD3
SCHEMBL10360734 0.90 SIGMAR1 (0.60) SIGMAR1HTR1ADRD2DRD4DRD3
Hydrochloric Acid SCHEMBL6374514 0.89 SIGMAR1 (0.58) SIGMAR1HTR1ADRD2DRD4DRD3
SCHEMBL19968703 0.86 SIGMAR1 (0.43) SIGMAR1HTR1A
SCHEMBL6635917 0.86 SIGMAR1 (0.61) SIGMAR1HTR1ADRD2
SCHEMBL6637148 0.86 HTR1A (0.48) SIGMAR1HTR1ADRD2DRD3
SCHEMBL6634645 0.84 HTR7 (0.53) SIGMAR1HTR1ADRD2DRD3
SCHEMBL6626009 0.84 SIGMAR1 (0.65) SIGMAR1HTR1ADRD2

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
US-4999355-A Antiserotonine agents RHONE-POULENC (FR) 1991-03-12 US disclosed