SCHEMBL30201405

SCHEMBL30201405

CC(C)(C)OC(=O)N1CCCC(CCc2cccc(C(F)(F)F)c2)(C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
TSHR P16473 2/20 0.42
EPHX2 P34913 1/20 0.42
MAPT P10636 1/20 0.40
USP30 Q70CQ3 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
S1PR1 P21453 1/20 0.38
GRK5 P34947 1/20 0.38
CDK8 P49336 1/20 0.38
S1PR5 Q9H228 1/20 0.38
RORC P51449 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KCNH2 Q12809 1/20 0.38
USP2 O75604 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
SCHEMBL25090352 1.00 TACR1 (0.47) TACR1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL29328059 0.93 TACR1 (0.45) TACR1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL25090456 0.89 L3MBTL1 (0.51) TACR1MEN1KMT2AMAPTL3MBTL1
SCHEMBL30201121 0.86 MEN1 (0.46) TACR1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL25090446 0.86 MEN1 (0.46) TACR1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL25090079 0.85 TACR1 (0.45) TACR1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL30201079 0.85 TACR1 (0.45) TACR1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL25090353 0.84 TACR1 (0.44) TACR1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL25090264 0.84 TACR1 (0.44) TACR1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL30201152 0.84 TACR1 (0.44) TACR1MEN1KMT2ACYP1A2CYP3A4

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
WO-2023028056-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS GENENTECH, INC. (US) 2023-03-02 WO disclosed