SCHEMBL7846928

SCHEMBL7846928

O=C(CCc1c[nH]c2ccccc12)NCCc1ccc(Cl)cc1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.80
ALDH1A1 P00352 2/20 0.68
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
SIRT1 Q96EB6 1/20 0.65
MAPT P10636 3/20 0.65
HPGD P15428 1/20 0.65
GOT1 P17174 1/20 0.63
MTNR1A P48039 2/20 0.62
HSD17B2 P37059 1/20 0.61
AANAT Q16613 1/20 0.60
GAA P10253 1/20 0.60

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
SCHEMBL7846817 0.90 MAPT (0.78) GFERALDH1A1MEN1KMT2ANPC1
SCHEMBL7852879 0.90 GFER (0.84) GFERALDH1A1MEN1KMT2ANPC1
SCHEMBL12009647 0.89 GFER (1.00) GFERALDH1A1MEN1KMT2AMAPT
SCHEMBL7850949 0.88 GFER (0.80) GFERALDH1A1MEN1KMT2ASIRT1
SCHEMBL7843167 0.88 GFER (0.80) GFERALDH1A1MEN1KMT2ASIRT1
P-Toluenesulfonamide SCHEMBL29272927 0.87 ALDH1A1 (0.68) GFERALDH1A1MEN1KMT2ANPC1
SCHEMBL7677886 0.87 MEN1 (0.84) GFERALDH1A1MEN1KMT2ANPC1
SCHEMBL9117842 0.85 MEN1 (0.76) GFERALDH1A1MEN1KMT2ANPC1
SCHEMBL9303912 0.84 MEN1 (0.71) GFERALDH1A1MEN1KMT2ANPC1
SCHEMBL12009643 0.84 GFER (0.91) GFERMEN1KMT2ASIRT1MTNR1A

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