SCHEMBL7846860

SCHEMBL7846860

O=C(CCc1c[nH]c2ccccc12)NCc1ccccc1F

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.79
▸ POLB P06746 1/20 0.64
▸ MEN1 O00255 3/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ MAPT P10636 2/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ GAA P10253 1/20 0.62
▸ GABRP O00591 1/20 0.61
▸ GABRD O14764 1/20 0.61
▸ GABRA1 P14867 1/20 0.61
▸ GABRB1 P18505 1/20 0.61
▸ GABRG2 P18507 1/20 0.61
▸ GABRB3 P28472 1/20 0.61
▸ GABRA5 P31644 1/20 0.61
▸ GABRA3 P34903 1/20 0.61
▸ GABRA2 P47869 1/20 0.61
▸ GABRB2 P47870 1/20 0.61
▸ GABRA4 P48169 1/20 0.61
▸ GABRE P78334 1/20 0.61
▸ GABRA6 Q16445 1/20 0.61

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
SCHEMBL7851164 0.89 MEN1 (0.71) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL27333775 0.88 LMNA (1.00) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL7854116 0.88 LMNA (0.62) LMNAPOLBMEN1KMT2AMAPT
SCHEMBL7848175 0.87 POLB (0.67) LMNAPOLBMEN1KMT2AMAPT
SCHEMBL7850581 0.85 KMT2A (0.65) LMNAPOLBMEN1KMT2AMAPT
SCHEMBL7853106 0.85 MAPT (0.66) LMNAPOLBMEN1KMT2AMAPT
SCHEMBL7855831 0.85 POLB (0.64) LMNAPOLBMEN1KMT2AMAPT
SCHEMBL7849085 0.84 MEN1 (0.87) LMNAPOLBMEN1KMT2AMAPT
SCHEMBL7856952 0.84 KMT2A (0.68) LMNAPOLBMEN1KMT2AMAPT
SCHEMBL7838803 0.84 LMNA (0.76) LMNAPOLBMEN1KMT2AMAPT

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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