SCHEMBL24880914

SCHEMBL24880914

CN1Cc2cc(N)cc3c2C(C)(CC3)C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.30
ADRA2C P18825 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL24881058 0.91 OPRD1 (0.32) OPRD1KDM4E
SCHEMBL24881076 0.91 OPRD1 (0.32) OPRD1KDM4E
SCHEMBL24881630 0.91 OPRD1 (0.32) OPRD1KDM4E
SCHEMBL24880949 0.89 KDM4E (0.33) OPRD1KDM4E
SCHEMBL24880956 0.89 KDM4E (0.33) OPRD1KDM4E
SCHEMBL24880924 0.89 KDM4E (0.33) OPRD1KDM4E
SCHEMBL24880953 0.88 KDM4E (0.35) OPRD1KDM4E
SCHEMBL24882005 0.80 ATAD2 (0.33)
SCHEMBL24881350 0.77 OPRD1 (0.40) OPRD1ADRA2C
SCHEMBL24881631 0.74 KDM4E (0.31) KDM4E

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-2023280180-A1 FUSED RING COMPOUND AS WEE-1 INHIBITOR 微境生物医药科技(上海)有限公司 2023-01-12 WO disclosed