SCHEMBL7310478

SCHEMBL7310478

CCC(=O)C1(c2ccccc2)CCN(CCCc2ccccc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.72
SIGMAR1 Q99720 2/20 0.61
DRD3 P35462 1/20 0.58
OPRM1 P35372 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
SCHEMBL7311113 0.87 KCNA3 (0.71) KCNA3SIGMAR1OPRM1
SCHEMBL7313939 0.84 KCNA3 (1.00) KCNA3OPRM1
SCHEMBL7309532 0.83 KCNA3 (0.67) KCNA3SIGMAR1OPRM1
SCHEMBL9052179 0.82 DRD2 (0.67) DRD3
SCHEMBL8437630 0.82 OPRM1 (0.69) DRD3OPRM1
SCHEMBL466815 0.81 KCNA3 (0.64) KCNA3SIGMAR1
SCHEMBL10274482 0.81 OPRM1 (0.67) DRD3OPRM1
Droxypropine SCHEMBL2110922 0.80 DRD3 (0.53) KCNA3DRD3OPRM1
SCHEMBL3554958 0.78 KCNA3 (0.60) KCNA3SIGMAR1OPRM1
SCHEMBL9052507 0.78 DRD2 (0.71) SIGMAR1DRD3

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
US-5364867-A For treatment of psychosis STERLING WINTHROP INC. (US) 1994-11-15 US claimed
US-5364867-A For treatment of psychosis STERLING WINTHROP INC. (US) 1994-11-15 US disclosed