SCHEMBL25501634

SCHEMBL25501634

CCCCCO[C@@H]1CCNC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.47
GBA1 P04062 2/20 0.44
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
GNAI3 P08754 7/20 0.37
GNAO1 P09471 7/20 0.37
GNAI1 P63096 7/20 0.37
KCNH2 Q12809 5/20 0.36
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 4/20 0.36
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EPHX2 P34913 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL14924890 1.00 CHRM1 (0.47) CHRM1GBA1CHRM2CHRM3GNAI3
SCHEMBL19833602 0.98 GBA1 (0.46) CHRM1GBA1CHRM2CHRM3GNAI3
SCHEMBL19834937 0.98 GBA1 (0.46) CHRM1GBA1CHRM2CHRM3GNAI3
SCHEMBL2632683 0.94 CHRM1 (0.51) CHRM1GBA1CHRM2CHRM3GNAI3
SCHEMBL2632445 0.94 CHRM1 (0.51) CHRM1GBA1CHRM2CHRM3GNAI3
SCHEMBL10049922 0.94 CHRM1 (0.51) CHRM1GBA1CHRM2CHRM3GNAI3
SCHEMBL1080239 0.89 GBA1 (0.41) CHRM1GBA1CHRM2CHRM3GNAI3
SCHEMBL19835246 0.89 CHRM1 (0.43) CHRM1GBA1
SCHEMBL19833700 0.89 CHRM1 (0.43) CHRM1GBA1
SCHEMBL19684445 0.89 CHRM1 (0.43) CHRM1GBA1

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-2023088291-A1 AROMATIC AMINE COMPOUND AND APPLICATION THEREOF 武汉众诚康健生物医药科技有限公司 2023-05-25 WO disclosed