SCHEMBL24206641

SCHEMBL24206641

CCCC(=O)N1CCN(C2CCN(I)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.43
ACACA Q13085 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
GNAI3 P08754 4/20 0.42
GNAI1 P63096 4/20 0.42
GNAO1 P09471 3/20 0.42
HRH3 Q9Y5N1 4/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MTNR1B P49286 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL24803097 0.92 L3MBTL1 (0.49) ACACBACACAL3MBTL1NPC1GNAI3
SCHEMBL24204794 0.85 GNAI3 (0.51) ACACBACACAL3MBTL1GNAI3GNAI1
SCHEMBL24204480 0.84 GNAI3 (0.51) ACACBACACAGNAI3GNAI1GNAO1
SCHEMBL8229259 0.83 ALDH1A1 (0.56) HRH3KMT2AMEN1ALDH1A1TSHR
SCHEMBL19157192 0.82 L3MBTL1 (0.53) L3MBTL1NPC1GNAI3GNAI1GNAO1
SCHEMBL14614943 0.81 MEN1 (0.59) L3MBTL1NPC1KMT2AMEN1ALDH1A1
SCHEMBL11490502 0.81 GNAI3 (0.51) ACACBACACAGNAI3GNAI1GNAO1
SCHEMBL19313001 0.80 KDM4E (0.41) L3MBTL1HRH3KMT2AMEN1ALDH1A1
SCHEMBL24584949 0.79 MEN1 (0.43) ACACBACACANPC1GNAI3GNAI1
SCHEMBL26005384 0.79 GNAI3 (0.60) ACACBACACAL3MBTL1NPC1GNAI3

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-2022012622-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2022-01-20 WO disclosed