SCHEMBL29614440

SCHEMBL29614440

CCn1cc(C(=O)NC2CCC(CC(=O)O)CC2)c2c(Cc3ccc(C(F)(F)F)cc3)cccc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 14/20 0.44
▸ CRHR2 Q13324 3/20 0.44
▸ DRD4 P21917 1/20 0.43
▸ SLC6A5 Q9Y345 2/20 0.39
▸ SIGMAR1 Q99720 2/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38

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
SCHEMBL22776465 1.00 CRHR1 (0.44) CRHR1CRHR2DRD4SLC6A5SIGMAR1
SCHEMBL22776463 1.00 CRHR1 (0.44) CRHR1CRHR2DRD4SLC6A5SIGMAR1
SCHEMBL22777347 0.90 CRHR1 (0.42) CRHR1CRHR2DRD4SLC6A5
SCHEMBL29614517 0.90 CRHR1 (0.42) CRHR1CRHR2DRD4SLC6A5
SCHEMBL22777346 0.90 CRHR1 (0.42) CRHR1CRHR2DRD4SLC6A5
SCHEMBL22791216 0.89 DRD4 (0.46) CRHR1CRHR2DRD4SLC6A5
SCHEMBL22776428 0.82 PTGER4 (0.49) CRHR1CRHR2DRD4SLC6A5SIGMAR1
SCHEMBL29614505 0.82 PTGER4 (0.49) CRHR1CRHR2DRD4SLC6A5SIGMAR1
SCHEMBL22776427 0.82 PTGER4 (0.49) CRHR1CRHR2DRD4SLC6A5SIGMAR1
SCHEMBL22776576 0.81 PTGER4 (0.48) —

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
EP-3983412-A1 PROSTAGLANDIN E2 RECEPTOR 4 ANTAGONISTS AND USES THEREOF Teon Therapeutics, Inc. (US) 2022-04-20 — — EP disclosed
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