SCHEMBL25575295

SCHEMBL25575295

CCCNC1CCN(CC)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38
RECQL P46063 1/20 0.36
GNAI3 P08754 3/20 0.36
GNAO1 P09471 3/20 0.36
GNAI1 P63096 3/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
RAD52 P43351 1/20 0.35

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
SCHEMBL24027443 0.88 GNAI3 (0.46) SMN1; SMN2KDM4EMEN1MAPTKMT2A
SCHEMBL24793522 0.88 BACE1 (0.37) SMN1; SMN2KDM4EMEN1MAPTKMT2A
SCHEMBL20492763 0.85 PABPC1 (0.45) MEN1MAPTKMT2AEPHX1EPHX2
SCHEMBL23759700 0.85 CARM1 (0.45) SMN1; SMN2KDM4EMEN1MAPTKMT2A
SCHEMBL26022466 0.84 GNAI3 (0.56) EPHX2GNAI3GNAO1GNAI1
SCHEMBL22994955 0.83 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EMEN1MAPTKMT2A
SCHEMBL2760188 0.82 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EMEN1MAPTKMT2A
SCHEMBL5554376 0.82 ACHE (0.41) GNAI3GNAO1GNAI1CARM1PRMT6
SCHEMBL5316790 0.80 KDM4E (0.44) SMN1; SMN2KDM4EMEN1MAPTKMT2A
SCHEMBL21698460 0.80 KDM4E (0.36) SMN1; SMN2KDM4EMEN1MAPTKMT2A

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
WO-2023098730-A1 COMPOUND CONTAINING CYCLOALKYL OR HALOALKYL 正大天晴药业集团股份有限公司 2023-06-08 WO disclosed