SCHEMBL13617897

SCHEMBL13617897

CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccccc3)c2)C(C(=O)O)C1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.55
USP30 Q70CQ3 9/20 0.53
PDE4B Q07343 1/20 0.49
GPR119 Q8TDV5 1/20 0.46
NR1H2 P55055 3/20 0.46
RXRA P19793 2/20 0.46
NR1H3 Q13133 2/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
EGFR P00533 1/20 0.44
SRC P12931 1/20 0.44
RORC P51449 1/20 0.44
HPGDS O60760 1/20 0.44

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
SCHEMBL12054657 1.00 TACR1 (0.55) TACR1USP30PDE4BGPR119NR1H2
SCHEMBL8265031 1.00 TACR1 (0.55) TACR1USP30PDE4BGPR119NR1H2
SCHEMBL2239759 1.00 TACR1 (0.55) TACR1USP30PDE4BGPR119NR1H2
SCHEMBL2245296 1.00 TACR1 (0.55) TACR1USP30PDE4BGPR119NR1H2
SCHEMBL8264378 0.94 TACR1 (0.49) TACR1USP30PDE4BGPR119NR1H2
SCHEMBL8265993 0.91 PDE4B (0.55) TACR1USP30PDE4B
SCHEMBL3195555 0.90 USP30 (0.57) TACR1USP30PDE4BGPR119PTPN2
SCHEMBL3195548 0.90 USP30 (0.57) TACR1USP30PDE4BGPR119PTPN2
SCHEMBL3201656 0.90 USP30 (0.57) TACR1USP30PDE4BGPR119PTPN2
SCHEMBL3195542 0.90 USP30 (0.57) TACR1USP30PDE4BGPR119PTPN2

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-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP disclosed