SCHEMBL21470772

SCHEMBL21470772

CC1c2cc(Oc3ccnc4c3cc(C=O)n4[S+]([O-])c3ccccc3)ccc2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 15/20 0.35
▸ NPC1 O15118 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ PARP1 P09874 1/20 0.30

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
SCHEMBL21470702 0.92 GHSR (0.33) GHSRNPC1POLBKDM4EPARP1
SCHEMBL21470768 0.86 GHSR (0.36) GHSRNPC1POLBKDM4E
SCHEMBL21470771 0.84 GHSR (0.37) GHSRNPC1POLBPARP1
SCHEMBL23353650 0.79 GHSR (0.36) GHSRNPC1POLBPARP1
SCHEMBL21470766 0.78 HTR6 (0.39) GHSRHDAC8
SCHEMBL21470704 0.77 GHSR (0.37) GHSRPARP1
SCHEMBL21470487 0.76 GHSR (0.36) GHSRPARP1
SCHEMBL23353525 0.76 GHSR (0.38) GHSRHDAC8PARP1
SCHEMBL23327005 0.74 TAS2R14 (0.35) NPC1POLBKDM4EPARP1
SCHEMBL21470700 0.73 GHSR (0.36) GHSRPARP1

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-2019200120-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS LYCERA CORPORATION (US) 2019-10-17 — — WO disclosed
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