SCHEMBL7850581

SCHEMBL7850581

O=C(CCc1c[nH]c2ccccc12)NCc1ccc(F)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.65
▸ MEN1 O00255 2/20 0.65
▸ NPSR1 Q6W5P4 1/20 0.65
▸ GFER P55789 1/20 0.65
▸ POLB P06746 1/20 0.64
▸ LMNA P02545 2/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ MAPT P10636 4/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ GAA P10253 1/20 0.62
▸ SIRT1 Q96EB6 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ GABRP O00591 1/20 0.59
▸ GABRD O14764 1/20 0.59
▸ GABRA1 P14867 1/20 0.59
▸ GABRB1 P18505 1/20 0.59
▸ GABRG2 P18507 1/20 0.59
▸ GABRB3 P28472 1/20 0.59
▸ GABRA5 P31644 1/20 0.59
▸ GABRA3 P34903 1/20 0.59

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
SCHEMBL7850949 0.90 GFER (0.80) KMT2AMEN1GFERPOLBMAPT
SCHEMBL7838803 0.90 LMNA (0.76) KMT2AMEN1NPSR1GFERPOLB
SCHEMBL27333849 0.88 LMNA (0.72) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL8696236 0.88 LMNA (0.66) KMT2AMEN1NPSR1GFERPOLB
SCHEMBL7853851 0.88 MAPT (0.66) KMT2AMEN1NPSR1GFERPOLB
SCHEMBL7846817 0.88 MAPT (0.78) KMT2AMEN1NPSR1GFERPOLB
SCHEMBL7852539 0.87 MEN1 (0.65) KMT2AMEN1NPSR1GFERPOLB
SCHEMBL7856952 0.87 KMT2A (0.68) KMT2AMEN1NPSR1GFERPOLB
SCHEMBL7853896 0.87 TRPV1 (0.65) KMT2AMEN1NPSR1GFERPOLB
SCHEMBL7854116 0.86 LMNA (0.62) KMT2AMEN1NPSR1GFERPOLB

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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