SCHEMBL7309532

SCHEMBL7309532

O=C(c1ccccc1)C1(c2ccccc2)CCN(CCCc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.67
SIGMAR1 Q99720 4/20 0.63
OPRM1 P35372 2/20 0.51
DRD2 P14416 1/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51

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 0.88 KCNA3 (0.71) KCNA3SIGMAR1OPRM1
SCHEMBL7310478 0.83 KCNA3 (0.72) KCNA3SIGMAR1OPRM1
SCHEMBL466815 0.82 KCNA3 (0.64) KCNA3SIGMAR1
SCHEMBL7313939 0.80 KCNA3 (1.00) KCNA3OPRM1OPRD1OPRK1
SCHEMBL3554958 0.79 KCNA3 (0.60) KCNA3SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL8096481 0.77 SIGMAR1 (1.00) KCNA3SIGMAR1OPRM1DRD2
SCHEMBL27873229 0.77 OPRM1 (0.60) OPRM1OPRD1OPRK1
SCHEMBL10924212 0.75 SLC6A12 (0.53) SIGMAR1DRD2
SCHEMBL9378157 0.75 DRD2 (0.54) OPRM1DRD2OPRD1OPRK1
SCHEMBL15961276 0.73 SIGMAR1 (0.91) SIGMAR1DRD2

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