SCHEMBL7326702

SCHEMBL7326702

CNC1Cc2ccccc2C1Cc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
SIGMAR1 Q99720 2/20 0.39
NPY5R Q15761 1/20 0.37
SLC22A1 O15245 1/20 0.37
PRCP P42785 1/20 0.37
CALM1 P0DP23 1/20 0.35
PDPK1 O15530 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR2A P28223 2/20 0.34
LTA4H P09960 1/20 0.34
HRH1 P35367 1/20 0.34

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
SCHEMBL7326708 1.00 SLC6A9 (0.42) SLC6A9OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL8651682 1.00 SLC6A9 (0.42) SLC6A9OPRM1OPRD1OPRK1SIGMAR1
Hydrochloric Acid SCHEMBL8655771 0.99 SLC6A9 (0.42) SLC6A9OPRM1OPRD1OPRK1SIGMAR1
Hydrochloric Acid SCHEMBL8654170 0.94 OPRM1 (0.43) SLC6A9OPRM1OPRD1OPRK1SIGMAR1
Hydrochloric Acid SCHEMBL7335458 0.94 OPRM1 (0.43) SLC6A9OPRM1OPRD1OPRK1SIGMAR1
Hydrochloric Acid SCHEMBL7335461 0.94 OPRM1 (0.43) SLC6A9OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL7331363 0.86 NPY5R (0.39) SLC6A9OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL7328323 0.86 BCHE (0.43) SLC6A9
SCHEMBL7326833 0.86 BCHE (0.43) SLC6A9
Hydrochloric Acid SCHEMBL8652261 0.85 NPY5R (0.39) SLC6A9OPRM1OPRD1OPRK1SIGMAR1

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
EP-0711271-A1 AMINOINDANES AND RELATED COMPOUNDS USEFUL AS CALCIUM-CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-05-15 EP disclosed
WO-1995004027-A1 AMINOINDANES AND RELATED COMPOUNDS USEFUL AS CALCIUM-CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-02-09 WO disclosed