SCHEMBL5500496

SCHEMBL5500496

N#Cc1ccc(Cc2c[nH]c3ccc(C=O)cc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 5/20 0.48
▸ SLC6A4 P31645 4/20 0.44
▸ GPR84 Q9NQS5 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD3 P35462 1/20 0.40

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
SCHEMBL5502402 0.78 HTR7 (0.53) SNCAGPR84MEN1KMT2A
SCHEMBL5899817 0.78 MEN1 (0.59) SNCASLC6A4MEN1KMT2ADRD2
SCHEMBL29005985 0.77 SLC6A4 (0.62) SLC6A4GPR84DRD2DRD4DRD3
SCHEMBL3601687 0.74 IMPDH2 (0.51) SLC6A4
SCHEMBL18011073 0.73 SLC6A4 (0.56) SLC6A4DRD2DRD4DRD3
SCHEMBL3969159 0.73 MEN1 (0.70) GPR84MEN1KMT2A
SCHEMBL13226846 0.71 SLC6A4 (0.63) SLC6A4MEN1KMT2ADRD2DRD4
SCHEMBL30665978 0.71 GABRP (0.60) SLC6A4
SCHEMBL2535253 0.71 GABRP (0.60) SLC6A4
SCHEMBL2648422 0.71 ALDH1A1 (0.66) SLC6A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751103-A1 4-(5-(AMINOMETHYL)-INDOLE-1-YLMETHYL)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS OPIOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY ELI LILLY AND COMPANY (US) 2007-02-14 — — EP disclosed
WO-2005090303-A1 4- (5- (AMINOMETHYL) -INDOLE-1-YLMETHYL) -BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS OPIOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY ELI LILLY AND COMPANY (US) 2005-09-29 — — WO disclosed
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