SCHEMBL3638013

SCHEMBL3638013

NC(=O)C1CCC(F)C(F)C1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NOS2 P35228 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
SCHEMBL13887543 0.82 KDM4E (0.32) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL3589189 0.82 KDM4E (0.32) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL813890 0.79 KDM4E (0.42) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL15542332 0.79 KDM4E (0.42) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL31375665 0.78 — —
SCHEMBL4835506 0.78 ACE (0.42) KMT2ACYP2D6SMN1; SMN2
SCHEMBL11818645 0.78 — —
SCHEMBL31022855 0.76 KDM4E (0.41) KDM4EMAPTKMT2AATMCYP2D6
Hydrochloric Acid SCHEMBL28544765 0.76 KDM4E (0.34) KDM4EMAPTKMT2AATMCYP2D6
Hydrochloric Acid SCHEMBL11818658 0.76 ACE (0.41) KMT2ACYP2D6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192360-A1 METHODS OF TREATING A SUBJECT FOR POST-TREATMENT LYME DISEASE (PTLD) AND COMPOSITIONS FOR USE IN THE SAME INCELLDX, INC. (US) 2023-10-05 — — WO disclosed
EP-2164491-A1 PIPERIDINE-4-ACETIC ACID DERIVATIVES AND THEIR USE Euroscreen S.A. (BE) 2010-03-24 — — EP disclosed
WO-2009010477-A1 PIPERIDINE-4-ACETIC ACID DERIVATIVES AND THEIR USE EUROSCREEN S.A. (BE) 2009-01-22 — — WO disclosed
WO-2009010479-A2 HETEROCYCLIC METHYLENE PIPERIDINE DERIVATIVES AND THEIR USE EUROSCREEN S.A. (BE) 2009-01-22 — — WO disclosed
Send feedback