SCHEMBL6163736

SCHEMBL6163736

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCc2ccc(N)cc2C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NR1H2 P55055 1/20 0.46
CTSL P07711 6/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ACE P12821 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL6163734 1.00 TACR1 (0.48) TACR1MEN1KMT2ANR1H2CTSL
SCHEMBL6163371 0.94 TACR1 (0.50) TACR1MEN1KMT2ACTSLCTSS
SCHEMBL6163362 0.94 TACR1 (0.50) TACR1MEN1KMT2ACTSLCTSS
SCHEMBL6160909 0.92 CTSL (0.50) TACR1MEN1KMT2ACTSLCTSS
SCHEMBL6161694 0.91 MEN1 (0.45) TACR1MEN1KMT2ACTSLCTSS
SCHEMBL6161596 0.89 ITGB2 (0.45) TACR1MEN1KMT2ACTSLCTSS
SCHEMBL6161592 0.89 ITGB2 (0.45) TACR1MEN1KMT2ACTSLCTSS
Hydrochloric Acid SCHEMBL6162252 0.88 GHSR (0.51) ACEPKM
Hydrochloric Acid SCHEMBL6162247 0.88 GHSR (0.51) ACEPKM
SCHEMBL6163811 0.88 MEN1 (0.47) TACR1MEN1KMT2ACTSLCTSS

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-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed