SCHEMBL7761852

SCHEMBL7761852

[CH2]c1cccc2c1Cc1ccccc1C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
DRD2 P14416 5/20 0.37
DRD1 P21728 5/20 0.37
DRD5 P21918 5/20 0.37
DRD3 P35462 4/20 0.37
DRD4 P21917 3/20 0.37
TSHR P16473 3/20 0.36
MAOA P21397 2/20 0.36
CYP3A4 P08684 2/20 0.36
MAOB P27338 1/20 0.36
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
PNMT P11086 1/20 0.34
HTR2A P28223 3/20 0.33
CYP2A6 P11509 1/20 0.33
HRH1 P35367 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31

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
SCHEMBL135720 0.77 PNMT (0.53) DRD2DRD3DRD4MAOAMAOB
SCHEMBL29935665 0.76 CYP1A2 (0.48) CYP1A2DRD2DRD1DRD5DRD3
SCHEMBL29139180 0.74 CYP1A2 (0.48) CYP1A2DRD2DRD1DRD5DRD3
SCHEMBL28883089 0.74 DRD2 (0.36) CYP1A2DRD2DRD1DRD5DRD3
SCHEMBL17060387 0.73 MAOA (0.59) MAOAMAOBPNMTCA1CA2
SCHEMBL1525601 0.72
SCHEMBL22081972 0.72 CYP1A2 (0.62) CYP1A2DRD2DRD1DRD5DRD3
SCHEMBL29881712 0.72
SCHEMBL109650 0.72 CYP1A2 (0.62) CYP1A2DRD2DRD1DRD5DRD3
SCHEMBL6906533 0.71 DRD2 (0.41) CYP1A2DRD2DRD1DRD5DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103384700-B Acrylic rubber composition NOK CORP 2015-02-11 CN disclosed
CN-103384700-A Acrylic rubber composition NOK CORP 2013-11-06 CN disclosed
CN-101932556-B Diurethane compound, process for producing the same, and acrylic rubber composition containing the same UNIMATEC CO LTD 2013-08-14 CN disclosed
CN-101932556-A Novel diurethane compound, process for producing the same, and acrylic rubber composition containing the same UNIMATEC CO LTD 2010-12-29 CN disclosed
EP-0808839-B1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF, AND DRUGS CONTAINING THE SAME TAIHO PHARMACEUTICAL CO LTD (JP) 2001-05-23 EP disclosed
US-5883121-A INHIBITING ACTIVITY AGAINST CATHEPSIN, AND IS USEFUL FOR PREVENTION AND TREATMENT OF OSTEOPATHY SUCH AS OSTEOPOROSIS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1999-03-16 US disclosed
EP-0808839-A1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF, AND DRUGS CONTAINING THE SAME TAIHO PHARMACEUTICAL CO., LTD. (JP) 1997-11-26 EP disclosed