SCHEMBL9212280

SCHEMBL9212280

COc1ccc(C(C)NC(=O)[C@@](C)(Cc2c[nH]c3ccccc23)OC(N)=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 15/20 0.61
TACR3 P29371 1/20 0.52
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL8485370 0.91 TACR1 (0.61) TACR1TACR3MEN1KMT2A
SCHEMBL9274807 0.91 TACR1 (0.61) TACR1TACR3MEN1KMT2A
SCHEMBL8198646 0.82 TACR1 (0.77) TACR1TACR3
SCHEMBL8198649 0.82 TACR1 (0.77) TACR1TACR3
SCHEMBL1388670 0.79 TACR1 (0.64) TACR1TACR3
SCHEMBL9541550 0.79 TACR1 (0.43) TACR1TACR3MAPT
SCHEMBL9373898 0.79 TACR1 (0.51) TACR1TACR3MEN1MAPTKMT2A
SCHEMBL7856733 0.78 MAPT (0.64) TACR1NPC1POLBRAB9ACDK4
SCHEMBL8488187 0.78 NMBR (0.50) TACR1MEN1KMT2A
SCHEMBL6888854 0.78 TACR1 (0.46) TACR1TACR3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0655055-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-05-31 EP disclosed