SCHEMBL22791280

SCHEMBL22791280

COC(=O)CC12CC(NC(=O)c3cn(CCF)c4cccc(Cc5ccc(C(F)(F)F)cc5)c34)(C1)[C@H]2C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 15/20 0.39
▸ IL1B P01584 11/20 0.39
▸ MAPT P10636 2/20 0.34
▸ CNR1 P21554 2/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ ADAMTS4 O75173 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
SCHEMBL22791491 0.94 P2RX7 (0.37) P2RX7IL1BCNR1CNR2ADAMTS4
SCHEMBL22791408 0.92 P2RX7 (0.37) P2RX7IL1BMAPTCNR1CNR2
SCHEMBL22776591 0.86 P2RX7 (0.40) P2RX7IL1BMAPTCNR1CNR2
SCHEMBL22791412 0.86 PDE4A (0.35) P2RX7IL1BCNR1CNR2ADAMTS4
SCHEMBL22791483 0.80 FPR1 (0.32) —
SCHEMBL22776643 0.80 P2RX7 (0.38) P2RX7IL1BCNR1CNR2
SCHEMBL22776459 0.79 P2RX7 (0.37) P2RX7IL1BMAPTCNR1CNR2
SCHEMBL29527475 0.78 KDM4E (0.43) P2RX7IL1BMAPTCNR1THRB
SCHEMBL22776602 0.78 KDM4E (0.43) P2RX7IL1BMAPTCNR1THRB
SCHEMBL22791469 0.78 GSK3B (0.38) —

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-2020251957-A1 PROSTAGLANDIN E2 RECEPTOR 4 ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS, INC. (US) 2020-12-17 — — WO disclosed
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