SCHEMBL8500474

SCHEMBL8500474

CC(=O)N[C@@H]1CCN(C(=O)[C@@H](OC(C)=O)c2ccccc2)[C@@H](Cc2ccc(Cl)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.49
TSHR P16473 1/20 0.43
TACR3 P29371 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
LTA4H P09960 1/20 0.38
ABCB11 O95342 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL7460426 1.00 TACR1 (0.49) TACR1TSHRTACR3SIGMAR1LTA4H
SCHEMBL7614502 1.00 TACR1 (0.49) TACR1TSHRTACR3SIGMAR1LTA4H
SCHEMBL7614505 1.00 TACR1 (0.49) TACR1TSHRTACR3SIGMAR1LTA4H
SCHEMBL7465740 1.00 TACR1 (0.49) TACR1TSHRTACR3SIGMAR1LTA4H
SCHEMBL7618215 1.00 TACR1 (0.49) TACR1TSHRTACR3SIGMAR1LTA4H
SCHEMBL8481125 0.81 TACR1 (0.50) TACR1TACR3
SCHEMBL8481128 0.81 TACR1 (0.50) TACR1TACR3
SCHEMBL7618232 0.81 TACR1 (0.54) TACR1TACR3SIGMAR1
SCHEMBL7618223 0.81 TACR1 (0.54) TACR1TACR3SIGMAR1
Acetic Acid SCHEMBL8525365 0.77 TACR1 (0.54) TACR1TACR3SIGMAR1

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
US-5935951-A ANTAGONIST AGAINST SUBSTANCE P NOVARTIS FINANCE CORPORATION (US) 1999-08-10 US disclosed