SCHEMBL6422248

SCHEMBL6422248

c1ccc(Cn2c3c(c4ccccc42)CCNC3)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.69
HDAC6 Q9UBN7 2/20 0.69
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
CHRM2 P08172 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
CHRM1 P11229 1/20 0.54
DRD1 P21728 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
ADRA1A P35348 1/20 0.54
OPRM1 P35372 1/20 0.54
DRD3 P35462 1/20 0.54
SLC6A3 Q01959 1/20 0.54
KCNH2 Q12809 1/20 0.54
HTR6 P50406 2/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53

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
Hydrochloric Acid SCHEMBL9615118 0.99 HDAC1 (0.67) HDAC1HDAC6CA1CA2CHRM2
SCHEMBL6038295 0.90 CA1 (0.66) HDAC1HDAC6CA1CA2CHRM2
SCHEMBL6335989 0.89 HDAC1 (0.67) HDAC1HDAC6CA1CA2HTR6
SCHEMBL6342434 0.89 HDAC1 (0.70) HDAC1HDAC6CA1CA2HTR6
Trifluoroacetic Acid SCHEMBL6423027 0.89 HDAC6 (0.67) HDAC1HDAC6CA1CA2CHRM2
SCHEMBL8025072 0.89 HDAC1 (0.69) HDAC1HDAC6CA1CA2CHRM2
Hydrochloric Acid SCHEMBL6339587 0.88 HDAC1 (0.69) HDAC1HDAC6CA1CA2HTR6
SCHEMBL6341009 0.88 HDAC6 (0.71) HDAC1HDAC6CA1CA2HTR6
SCHEMBL6333362 0.86 HDAC6 (0.66) HDAC1HDAC6CA1CA2HTR6
Hydrochloric Acid SCHEMBL6344225 0.85 HDAC1 (0.65) HDAC1HDAC6CA1CA2HTR6

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
EP-1057814-B1 TETRAHYDROBENZINDOLE DERIVATIVES MEIJI SEIKA KAISHA (JP) 2005-03-09 EP disclosed
US-6498251-B1 Tetrahydrobenzindole derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2002-12-24 US disclosed
EP-1057814-A1 TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2000-12-06 EP disclosed
US-6057311-A TREATING EATING DISORDERS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-02 US disclosed
WO-1997032860-A1 BENZODIAZONINE DERIVATIVES BINDING TO CHOLECYSTOKININ OR GASTRIN RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 1997-09-12 WO disclosed
US-5169852-A Anorexigenic agents NEUREX CORPORATION (US) 1992-12-08 US disclosed
EP-0520987-A4 METHOD OF SUPPRESSING APPETITE BY ADMINISTRATION OF TETRAHYDRO--g(b)-CARBOLINE DERIVATIVES. NEUREX CORP (US) 1992-05-13 EP disclosed