SCHEMBL7581329

SCHEMBL7581329

CC(=O)c1ccc(C2CNCCN2CCO)cc1.COc1c(-c2ccccc2)cc2cc1-2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.36
USP19 O94966 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
PDE5A O76074 2/20 0.35
FFAR2 O15552 2/20 0.35
BACE1 P56817 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL7582099 0.91 OPRD1 (0.36) OPRD1USP19PDE5AFFAR2BACE1
SCHEMBL7582641 0.90 POLB (0.41) OPRD1USP19POLB
SCHEMBL7585368 0.79 POLB (0.39) USP19BACE1POLB
SCHEMBL4977025 0.75 SLC18A3 (0.44)
SCHEMBL7587163 0.75 OPRD1 (0.38) OPRD1ALDH1A1SCN1ASCN2ASCN3A
SCHEMBL470840 0.70 CHRNB2 (0.41) SIGMAR1SMN1; SMN2
SCHEMBL28586605 0.69 OPRD1 (0.47) OPRD1SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL10418420 0.68 SLC18A3 (0.41) OPRD1SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL15951814 0.68 ADRB2 (0.37) SIGMAR1CYP2C19L3MBTL1
SCHEMBL10958845 0.68 SLC18A3 (0.39) SIGMAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675118-B1 Biphenylderivatives, process for their preparation and their use as medicaments EISAI CO LTD (JP) 2002-10-09 EP disclosed
US-6281214-B1 USEFUL FOR TREATING AND AMELIORATING MENTAL DISORDERS EISAI CO., LTD (JP) 2001-08-28 US disclosed
US-5849912-A Biphenyl derivatives EISAI CO., LTD. (JP) 1998-12-15 US disclosed
EP-0675118-A2 Biphenylderivatives, process for their preparation and their use as medicaments Eisai Co., Ltd. (JP) 1995-10-04 EP disclosed