SCHEMBL21608097

SCHEMBL21608097

COc1cccc([C@@H](C)N2CC[C@H](Cc3ccc(F)cn3)C2)n1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.33
HRH3 Q9Y5N1 3/20 0.32
APLNR P35414 5/20 0.32
KCNH2 Q12809 2/20 0.31
GHSR Q92847 2/20 0.31
KIT P10721 1/20 0.31
OGA O60502 1/20 0.31
AVPR2 P30518 1/20 0.31
AVPR1A P37288 1/20 0.31
AVPR1B P47901 1/20 0.31
OXTR P30559 1/20 0.31
IDH1 O75874 1/20 0.31

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
SCHEMBL21608099 1.00 MAP4K4 (0.33) MAP4K4HRH3APLNRKCNH2GHSR
SCHEMBL21608093 1.00 MAP4K4 (0.33) MAP4K4HRH3APLNRKCNH2GHSR
SCHEMBL21608092 1.00 MAP4K4 (0.33) MAP4K4HRH3APLNRKCNH2GHSR
SCHEMBL21608030 0.89 DRD4 (0.35) MAP4K4HRH3APLNRGHSR
SCHEMBL21608028 0.89 DRD4 (0.35) MAP4K4HRH3APLNRGHSR
SCHEMBL21608548 0.85 KDM1A (0.35) HRH3KCNH2GHSROGAIDH1
SCHEMBL23868330 0.82 PTGDR2 (0.32) HRH3OGA
SCHEMBL23868333 0.82 PTGDR2 (0.32) HRH3OGA
SCHEMBL23868331 0.82 PTGDR2 (0.32) HRH3OGA
SCHEMBL21608536 0.82 PDE9A (0.35) OGA

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-2019243531-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed