SCHEMBL21608030

SCHEMBL21608030

COc1ccc(CC2CCN(C(C)c3cccc(OC)n3)C2)nc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.35
HRH3 Q9Y5N1 3/20 0.35
SLC6A4 P31645 2/20 0.35
APLNR P35414 2/20 0.34
CHRM2 P08172 3/20 0.33
GHSR Q92847 3/20 0.33
MAP4K4 O95819 1/20 0.33
DGKZ Q13574 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
ACACB O00763 1/20 0.32

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
SCHEMBL21608028 1.00 DRD4 (0.35) DRD4HRH3SLC6A4APLNRCHRM2
SCHEMBL21608099 0.89 MAP4K4 (0.33) HRH3APLNRGHSRMAP4K4
SCHEMBL21608097 0.89 MAP4K4 (0.33) HRH3APLNRGHSRMAP4K4
SCHEMBL21608093 0.89 MAP4K4 (0.33) HRH3APLNRGHSRMAP4K4
SCHEMBL21608092 0.89 MAP4K4 (0.33) HRH3APLNRGHSRMAP4K4
SCHEMBL21608548 0.86 KDM1A (0.35) HRH3GHSRDGKZACACB
SCHEMBL21608552 0.82 TRPV6 (0.37) GHSR
SCHEMBL21608569 0.82 TRPV6 (0.37) GHSR
SCHEMBL21608568 0.82 TRPV6 (0.37) GHSR
SCHEMBL21608560 0.82 TRPV6 (0.37) GHSR

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