SCHEMBL7855831

SCHEMBL7855831

O=C(CCc1c[nH]c2ccccc12)NCc1ccccc1Br

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.64
▸ MAPT P10636 2/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ GAA P10253 1/20 0.62
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.59
▸ GFER P55789 1/20 0.59
▸ LMNA P02545 2/20 0.57
▸ HPGD P15428 2/20 0.57
▸ HTT P42858 1/20 0.57
▸ RECQL P46063 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ AANAT Q16613 1/20 0.56
▸ MTNR1A P48039 1/20 0.55
▸ MMP9 P14780 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
SCHEMBL7848175 0.87 POLB (0.67) POLBMAPTALDH1A1GAAMEN1
SCHEMBL7853106 0.85 MAPT (0.66) POLBMAPTALDH1A1GAAMEN1
SCHEMBL7846860 0.85 LMNA (0.79) POLBMAPTALDH1A1GAAMEN1
SCHEMBL7838803 0.84 LMNA (0.76) POLBMAPTALDH1A1GAAMEN1
SCHEMBL27382648 0.82 L3MBTL1 (0.65) POLBMAPTALDH1A1GAAMEN1
SCHEMBL7849085 0.82 MEN1 (0.87) POLBMAPTALDH1A1GAAMEN1
SCHEMBL7839075 0.82 MEN1 (0.65) POLBMAPTALDH1A1GAAMEN1
SCHEMBL7677886 0.81 MEN1 (0.84) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL1520411 0.81 MAPT (0.76) POLBMAPTALDH1A1GAAMEN1
SCHEMBL13973308 0.80 MAPT (0.74) POLBMAPTALDH1A1GAAMEN1

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-1140914-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-10-10 — — EP disclosed
WO-2000037462-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-06-29 — — WO disclosed
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