SCHEMBL7582099

SCHEMBL7582099

CCN1CCNCC1c1ccc(C(C)=O)cc1.COc1c(-c2ccccc2)cc2cc1-2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.36
USP19 O94966 1/20 0.36
PDE5A O76074 2/20 0.35
FFAR2 O15552 3/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
DRD1 P21728 1/20 0.35
BACE1 P56817 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IKBKB O14920 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

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
SCHEMBL7581329 0.91 OPRD1 (0.36) OPRD1USP19PDE5AFFAR2BACE1
SCHEMBL7582641 0.91 POLB (0.41) OPRD1USP19POLB
SCHEMBL7585368 0.80 POLB (0.39) USP19HTR2AHTR2CHTR2BBACE1
Ethane SCHEMBL7584566 0.77 HTR2A (0.38) HTR2AHTR2CHTR2B
SCHEMBL7587566 0.76 P2RX7 (0.52) USP19ALDH1A1IKBKBPOLBL3MBTL1
SCHEMBL7587163 0.76 OPRD1 (0.38) OPRD1HTR2CHTR2BALDH1A1
SCHEMBL7583540 0.75 FABP4 (0.39) HTR2AHTR2CHTR2BALDH1A1SMN1; SMN2
SCHEMBL7582143 0.74 CHRM3 (0.41) USP19PDE5AHTR2AHTR2CHTR2B
SCHEMBL7589890 0.74 KMT2A (0.41) FFAR2HTR2AHTR2CHTR2BALDH1A1
Methane SCHEMBL7585776 0.74 HTR2A (0.33) HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675118-A2 Biphenylderivatives, process for their preparation and their use as medicaments Eisai Co., Ltd. (JP) 1995-10-04 EP claimed
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