SCHEMBL24521409

SCHEMBL24521409

CN(C1CCN(C(=O)CN)CC1)C1COC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.40
CPB2 Q96IY4 1/20 0.40
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 1/20 0.36
NPC1 O15118 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
CDYL Q9Y232 1/20 0.34
CDY1; CDY1B Q9Y6F8 1/20 0.34
MAPT P10636 1/20 0.34
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
MCHR1 Q99705 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL18909095 0.86 EPHX2 (0.42) ALDH1A1KMT2ALMNASMN1; SMN2ATM
SCHEMBL19259598 0.84 KMT2A (0.37) ALDH1A1KMT2ALMNASMN1; SMN2ATM
SCHEMBL22030913 0.82 CYP3A4 (0.41) ALDH1A1KMT2ALMNASMN1; SMN2ATM
SCHEMBL21281226 0.82 ALDH1A1 (0.43) ALDH1A1KMT2ALMNASMN1; SMN2ATM
SCHEMBL15808501 0.80 L3MBTL3 (0.51) CPN1CPB2ALDH1A1NPC1L3MBTL3
SCHEMBL24244805 0.77 EPHX2 (0.40) ALDH1A1KMT2ALMNASMN1; SMN2ATM
SCHEMBL18909110 0.77 EPHX2 (0.40) ALDH1A1KMT2ALMNASMN1; SMN2ATM
SCHEMBL24521456 0.76 CPN1 (0.36) CPN1CPB2CDYLGNAI3GNAO1
SCHEMBL22030318 0.74 CYP3A4 (0.39) ALDH1A1KMT2ALMNASMN1; SMN2ATM
SCHEMBL21280987 0.74 KMT2A (0.41) ALDH1A1KMT2ALMNASMN1; SMN2ATM

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-3596072-B1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2022-06-22 EP disclosed