SCHEMBL5057013

SCHEMBL5057013

Cc1nn(C)c(N)c1CN1CCC(c2cc(F)cc(F)c2F)C1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RIPK1 Q13546 1/20 0.32
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
HTR2B P41595 1/20 0.31
SMO Q99835 1/20 0.31
HTR6 P50406 1/20 0.30
PDE2A O00408 2/20 0.30
KAT2B Q92831 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL5063006 0.87 L3MBTL1 (0.44) KMT2AMEN1KDM4EPOLBPKM
SCHEMBL5052639 0.80 DPP4 (0.32) RIPK1
SCHEMBL5053355 0.69 KDM4E (0.35) KMT2AMEN1KDM4EPOLBPKM
SCHEMBL1665560 0.67 KMT2A (0.34) KMT2AATML3MBTL1ALDH1A1
SCHEMBL2361091 0.67 OGA (0.42) ALDH1A1
SCHEMBL15720108 0.65 ALDH1A1 (0.49) KMT2AMEN1KDM4EL3MBTL1PDE2A
SCHEMBL5063665 0.64 HTR6 (0.47) KMT2AMEN1HTR6ALDH1A1
SCHEMBL19995933 0.62 PDE4B (0.43) KMT2AMEN1ATMRIPK1NPC1
SCHEMBL19995520 0.62 PDE4B (0.43) KMT2AMEN1ATMRIPK1NPC1
SCHEMBL2328326 0.61 KCNH2 (0.38)

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-1912966-A2 2-OXO-1-PYRROLIDINE DERIVATIVES AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB, S.A. (BE) 2008-04-23 EP claimed
WO-2006128692-A2 2-OXO-1-PYRROLIDINE DERIVATIVES AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB PHARMA, S.A. (BE) 2006-12-07 WO claimed