SCHEMBL7854116

SCHEMBL7854116

O=C(CCc1c[nH]c2ccccc12)NCc1cc(F)ccc1F

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.62
▸ POLB P06746 1/20 0.59
▸ NPC1 O15118 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ MAPT P10636 3/20 0.58
▸ ALDH1A1 P00352 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ GFER P55789 1/20 0.55
▸ SIRT1 Q96EB6 1/20 0.54
▸ HPGD P15428 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ PKM P14618 1/20 0.52
▸ MPO P05164 1/20 0.52

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
SCHEMBL7846860 0.88 LMNA (0.79) LMNAPOLBMEN1KMT2ANPSR1
SCHEMBL7850581 0.86 KMT2A (0.65) LMNAPOLBMEN1KMT2ANPSR1
SCHEMBL7856952 0.85 KMT2A (0.68) LMNAPOLBMEN1KMT2ANPSR1
SCHEMBL7852539 0.85 MEN1 (0.65) LMNAPOLBNPC1RAB9AMEN1
SCHEMBL7855460 0.82 MEN1 (0.64) LMNAPOLBMEN1KMT2ANPSR1
SCHEMBL7848175 0.81 POLB (0.67) LMNAPOLBMEN1KMT2ANPSR1
SCHEMBL27382648 0.81 L3MBTL1 (0.65) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL7838803 0.80 LMNA (0.76) LMNAPOLBMEN1KMT2ANPSR1
SCHEMBL7851164 0.80 MEN1 (0.71) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL7676968 0.79 POLB (0.62) LMNAPOLBNPC1RAB9AMEN1

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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