SCHEMBL21236898

SCHEMBL21236898

NC(=O)N1CCC(O)(C(F)(F)F)C1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.37
▸ VNN1 O95497 1/20 0.33
▸ RORC P51449 1/20 0.32
▸ DGAT1 O75907 1/20 0.31

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
SCHEMBL31488176 0.84 CFTR (0.35) CNR2DGAT1
SCHEMBL4228827 0.82 CNR2 (0.38) CNR2VNN1RORC
SCHEMBL18069128 0.81 SMN1; SMN2 (0.42) CNR2VNN1RORC
SCHEMBL19910567 0.77 PDK2 (0.37) CNR2VNN1RORC
SCHEMBL31371625 0.77 KMT2A (0.39) CNR2VNN1
SCHEMBL19910592 0.77 OPRM1 (0.45) CNR2VNN1RORC
SCHEMBL29626659 0.76 DGAT1 (0.37) DGAT1
SCHEMBL27896663 0.75 RORC (0.41) CNR2VNN1RORC
SCHEMBL4224125 0.74 USP2 (0.44) RORC
SCHEMBL3869090 0.74 VNN1 (0.38) CNR2VNN1RORC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3265445-B1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2021-05-05 — — EP disclosed
WO-2019149658-A1 PYRAZOLE- AND INDAZOLE-SUBSTITUTED OXADIAZOLOPYRIDINE DERIVATIVES FOR USE AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-08 — — WO disclosed
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