SCHEMBL22791152

SCHEMBL22791152

CCn1nc(C(=O)NC2CCC(C(=O)O)CC2)c2c(Cc3ccc(C(F)(F)F)cc3)cccc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 5/20 0.41
▸ PTGER4 P35408 3/20 0.40
▸ SLC6A5 Q9Y345 3/20 0.39
▸ DRD4 P21917 2/20 0.39
▸ SIGMAR1 Q99720 2/20 0.38
▸ CCR2 P41597 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ CRHR1 P34998 2/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36
▸ RORC P51449 1/20 0.36

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
SCHEMBL22791290 1.00 PTGDR2 (0.41) PTGDR2PTGER4SLC6A5DRD4SIGMAR1
SCHEMBL22791289 1.00 PTGDR2 (0.41) PTGDR2PTGER4SLC6A5DRD4SIGMAR1
SCHEMBL22791202 0.92 ACSL1 (0.43) PTGDR2PTGER4DRD4SIGMAR1
SCHEMBL22791200 0.91 PTGER4 (0.39) PTGDR2PTGER4SLC6A5DRD4SIGMAR1
SCHEMBL29614446 0.89 PTGER4 (0.53) PTGDR2PTGER4SLC6A5DRD4SIGMAR1
SCHEMBL22791369 0.89 PTGER4 (0.53) PTGDR2PTGER4SLC6A5DRD4SIGMAR1
SCHEMBL22776660 0.89 PTGER4 (0.53) PTGDR2PTGER4SLC6A5DRD4SIGMAR1
SCHEMBL22791199 0.87 HTR4 (0.44) DRD4
SCHEMBL22791359 0.87 EPHX2 (0.37) PTGDR2SLC6A5DRD4SIGMAR1CCR2
SCHEMBL22776540 0.81 PTGER4 (0.42) PTGDR2PTGER4RORC

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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