SCHEMBL13804780

SCHEMBL13804780

Clc1cc2nc(NCC3CCNCC3)[nH]c2cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 2/20 0.51
▸ CACNA1G O43497 2/20 0.51
▸ PIM1 P11309 2/20 0.47
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PRMT5 O14744 1/20 0.43
▸ WDR77 Q9BQA1 1/20 0.43
▸ RHEB Q15382 2/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38
▸ PRKAB1 Q9Y478 1/20 0.38
▸ BRD4 O60885 1/20 0.38

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
SCHEMBL27203390 0.88 CACNA1G (0.49) CACNA1HCACNA1GGAAHTTPRKAG1
SCHEMBL29770413 0.88 CACNA1G (0.49) CACNA1HCACNA1GGAAHTTPRKAG1
SCHEMBL4490880 0.78 PDGFRB (0.58) PIM1PDGFRBFGFR1KDR
SCHEMBL8353209 0.76 ALDH1A1 (0.59) PIM1JAK2JAK1CCNE1CDK2
SCHEMBL27241025 0.73 GAA (0.57) CACNA1HCACNA1GGAAHTTRHEB
SCHEMBL7208984 0.72 RIPK1 (0.58) CACNA1HCACNA1GGAAHTTRHEB
Hydrochloric Acid SCHEMBL4506067 0.72 PDGFRB (0.42) PIM1PRMT5WDR77FLT3KCNH2
SCHEMBL5407734 0.71 NPY5R (0.50) CACNA1HCACNA1GGAAHTTRHEB
SCHEMBL4504235 0.70 PTGER4 (0.49) PIM1GAAHTTPIM3BRD4
SCHEMBL3699142 0.70 CYP1A2 (0.43) PIM1PIM2CCNT1CDK9KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667679-B1 AMINOBENZIMIDAZOLES AS SELECTIVE MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY AND RELATED DISORDERS SCHERING CORP (US) 2009-06-03 — — EP disclosed
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