SCHEMBL8490235

SCHEMBL8490235

COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
HCRTR1 O43613 1/20 0.64
TDP1 Q9NUW8 1/20 0.59
KCNA5 P22460 3/20 0.57
MAPT P10636 2/20 0.57
NPBWR1 P48145 1/20 0.57
MCHR1 Q99705 1/20 0.57
OPRM1 P35372 1/20 0.57
GHSR Q92847 1/20 0.57
ALOX15 P16050 1/20 0.57
MIF P14174 1/20 0.56
TP53 P04637 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL27403391 1.00 KMT2A (0.64) KMT2AMEN1HCRTR1TDP1KCNA5
SCHEMBL19392083 1.00 KMT2A (0.64) KMT2AMEN1HCRTR1TDP1KCNA5
SCHEMBL9845636 0.91 GHSR (0.55) KMT2AMEN1HCRTR1KCNA5MAPT
SCHEMBL10587595 0.88 OPRM1 (0.53) KMT2AMEN1HCRTR1KCNA5MAPT
SCHEMBL24425711 0.87 ALOX15 (0.62) KMT2AMEN1MAPTOPRM1GHSR
SCHEMBL18625067 0.87 KMT2A (0.58) KMT2AMEN1HCRTR1MAPTOPRM1
SCHEMBL10796218 0.86 KCNA5 (0.57) KMT2AMEN1HCRTR1KCNA5MAPT
SCHEMBL14446809 0.86 TACR1 (0.62) KMT2AMEN1MAPTTP53
SCHEMBL5613868 0.86 KMT2A (0.67) KMT2AMEN1HCRTR1TDP1KCNA5
SCHEMBL120493 0.86 ALOX15 (0.67) KMT2AMEN1MAPTALOX15SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5981755-A Tachykinin antagonists WARNER-LAMBERT COMPANY (US) 1999-11-09 US disclosed
US-5716979-A NONPEPTIDES, UNIQUE IN ALKYLATION/SUBSTITUTION PATTERN ALONG THEIR BACKBONE, USEFUL FOR TREATING DISORDERS SUCH AS RESPIRATORY, INFLAMMATORY, GASTROINTESTINAL, OPHTHALMIC, ALLERGIES, PAIN, VASCULAR, MIGRANE, ARTHRITIS AND BRAIN WARNER-LAMBERT COMPANY (US) 1998-02-10 US disclosed
US-5594022-A CARBAMATES WARNER-LAMBERT COMPANY (US) 1997-01-14 US disclosed
WO-1994004494-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1994-03-03 WO disclosed