SCHEMBL22791202

SCHEMBL22791202

CCn1nc(C(=O)NC2CCC(C(=O)O)CC2)c2c(Cc3cccc(C(F)(F)F)c3)cccc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACSL1 P33121 1/20 0.43
▸ SIGMAR1 Q99720 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ PTGDR2 Q9Y5Y4 4/20 0.41
▸ DRD4 P21917 2/20 0.41
▸ GPR52 Q9Y2T5 2/20 0.41
▸ SMYD3 Q9H7B4 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ PTGER4 P35408 1/20 0.39
▸ UBE2M P61081 1/20 0.39
▸ DCUN1D1 Q96GG9 1/20 0.39

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
SCHEMBL22791152 0.92 PTGDR2 (0.41) SIGMAR1PTGDR2DRD4PTGER4
SCHEMBL22791290 0.92 PTGDR2 (0.41) SIGMAR1PTGDR2DRD4PTGER4
SCHEMBL22791289 0.92 PTGDR2 (0.41) SIGMAR1PTGDR2DRD4PTGER4
SCHEMBL22791200 0.83 PTGER4 (0.39) SIGMAR1PTGDR2DRD4PTGER4
SCHEMBL29614446 0.81 PTGER4 (0.53) SIGMAR1PTGDR2DRD4PTGER4
SCHEMBL22791369 0.81 PTGER4 (0.53) SIGMAR1PTGDR2DRD4PTGER4
SCHEMBL22776660 0.81 PTGER4 (0.53) SIGMAR1PTGDR2DRD4PTGER4
SCHEMBL22791147 0.80 CRHR1 (0.45) ACSL1SIGMAR1POLBDRD4GPR52
SCHEMBL22791359 0.80 EPHX2 (0.37) SIGMAR1PTGDR2DRD4
SCHEMBL22791199 0.79 HTR4 (0.44) DRD4

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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