SCHEMBL7618232

SCHEMBL7618232

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.54
SIGMAR1 Q99720 1/20 0.44
CCR5 P51681 1/20 0.43
TACR3 P29371 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TEAD1 P28347 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL7618223 1.00 TACR1 (0.54) TACR1SIGMAR1CCR5TACR3MEN1
SCHEMBL8481125 0.88 TACR1 (0.50) TACR1CCR5TACR3MEN1KMT2A
SCHEMBL8481128 0.88 TACR1 (0.50) TACR1CCR5TACR3MEN1KMT2A
SCHEMBL7610397 0.85 TACR1 (0.69) TACR1TACR3
SCHEMBL7610403 0.85 TACR1 (0.69) TACR1TACR3
Acetic Acid SCHEMBL8525365 0.84 TACR1 (0.54) TACR1SIGMAR1TACR3
SCHEMBL7610359 0.84 TACR1 (0.51) TACR1SIGMAR1
SCHEMBL7610362 0.84 TACR1 (0.51) TACR1SIGMAR1
SCHEMBL8501936 0.83 TACR1 (0.69) TACR1TACR3
SCHEMBL8501940 0.83 TACR1 (0.69) TACR1TACR3

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-0783490-B1 1-ACYL-4-ALIPHATIC AMINOPIPERIDINE COMPOUNDS NOVARTIS AG (CH) 2002-02-06 EP disclosed
US-5935951-A ANTAGONIST AGAINST SUBSTANCE P NOVARTIS FINANCE CORPORATION (US) 1999-08-10 US disclosed