SCHEMBL8918612

SCHEMBL8918612

CC(=O)N1CCCc2cc(CCCl)sc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.40
DRD2 P14416 3/20 0.40
DRD1 P21728 3/20 0.40
POLB P06746 1/20 0.39
MCHR1 Q99705 2/20 0.38
ALDH1A1 P00352 5/20 0.37
HPGD P15428 2/20 0.37
USP2 O75604 1/20 0.37
NOTUM Q6P988 1/20 0.35
HDAC6 Q9UBN7 2/20 0.35
KCNQ2 O43526 1/20 0.34
BPTF Q12830 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
GRM5 P41594 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
TBXAS1 P24557 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDR P35968 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL8918025 0.92 HTR1A (0.43) HTR1ADRD2DRD1POLBMCHR1
SCHEMBL8919325 0.84 HTR1A (0.43) HTR1ADRD2DRD1POLBMCHR1
SCHEMBL8917193 0.80 MCHR1 (0.48) POLBMCHR1ALDH1A1HPGDUSP2
SCHEMBL8916750 0.79 NOTUM (0.43) POLBMCHR1ALDH1A1HPGDUSP2
SCHEMBL8917714 0.78 MCHR1 (0.55) POLBMCHR1ALDH1A1HPGDUSP2
SCHEMBL8991811 0.75 MCHR1 (0.36) MCHR1ALDH1A1HPGDUSP2NOTUM
SCHEMBL8916613 0.71 NOTUM (0.43) DRD2DRD1POLBMCHR1ALDH1A1
SCHEMBL8917878 0.70 MCHR1 (0.62) MCHR1ALDH1A1HPGDUSP2NOTUM
SCHEMBL8917620 0.69 NOTUM (0.46) DRD2DRD1NOTUMKCNQ2BPTF
SCHEMBL8917039 0.69 NOTUM (0.50) MCHR1ALDH1A1HPGDNOTUMHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691330-A ANTIPSYCHOTIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-11-25 US disclosed
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed
EP-0596125-A1 CONDENSED THIOPHENE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-05-11 EP disclosed