SCHEMBL8858635

SCHEMBL8858635

COC(=O)[C@H]1CC(F)CN1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSC P53634 6/20 0.45
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
SMYD3 Q9H7B4 1/20 0.39
KMT2A Q03164 1/20 0.34
CHEK2 O96017 2/20 0.33

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
SCHEMBL3546620 1.00 CTSC (0.45) CTSCCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3328332 1.00 CTSC (0.45) CTSCCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13403392 1.00 CTSC (0.45) CTSCCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3553836 1.00 CTSC (0.45) CTSCCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13403388 1.00 CTSC (0.45) CTSCCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3331405 1.00 CTSC (0.45) CTSCCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3546617 1.00 CTSC (0.45) CTSCCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1336035 1.00 CTSC (0.45) CTSCCHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL1493678 0.98 CTSC (0.44) CTSCCHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL13570570 0.98 CTSC (0.44) CTSCCHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5605877-A TETRAHYDROPYRROLO(1,2-C)IMIDAZOLE-1,3-DIONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-02-25 US disclosed
EP-0659187-A1 BICYCLIC IMIDES AS HERBICIDES DEGUSSA AG (DE) 1995-06-28 EP disclosed
WO-1994005668-A1 BICYCLIC IMIDES AS HERBICIDES DEGUSSA AKTIENGESELLSCHAFT (DE) 1994-03-17 WO disclosed