SCHEMBL31332341

SCHEMBL31332341

c1ccc(CN2CCNc3ccccc3C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.54
ACHE P22303 1/20 0.48
MC4R P32245 1/20 0.46
PTGER2 P43116 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
REV1 Q9UBZ9 1/20 0.42
DRD3 P35462 1/20 0.42
KCNH2 Q12809 1/20 0.42
TP53 P04637 1/20 0.42
PNMT P11086 1/20 0.42

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
SCHEMBL8329606 0.83 ALDH1A1 (0.54) SIGMAR1ACHEMC4RALDH1A1TDP1
SCHEMBL10280392 0.80 MAPK1 (0.47) ALDH1A1CYP2C19
SCHEMBL13909610 0.78 SIGMAR1 (0.59) SIGMAR1ACHEMC4RALDH1A1TDP1
SCHEMBL220097 0.77 SIGMAR1 (0.62) SIGMAR1ACHEMC4RALDH1A1TDP1
SCHEMBL7383962 0.77 ALDH1A1 (0.48) ACHEPTGER2ALDH1A1MEN1KMT2A
SCHEMBL31549223 0.76 SIGMAR1 (0.49) SIGMAR1MC4RPTGER2ALDH1A1TDP1
SCHEMBL6672942 0.74 SIGMAR1 (0.62) SIGMAR1ACHEMC4RDRD3KCNH2
SCHEMBL6298329 0.74 SIGMAR1 (0.54) SIGMAR1ACHEMC4RALDH1A1TDP1
SCHEMBL31134754 0.74 ACHE (0.66) SIGMAR1ACHEALDH1A1MEN1KMT2A
SCHEMBL10978742 0.74 ACHE (0.66) SIGMAR1ACHEALDH1A1MEN1KMT2A

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
CN-119285628-A Compounds for the treatment and prophylaxis of respiratory syncytial virus infection diseases 石药集团中奇制药技术(石家庄)有限公司 2025-01-10 CN disclosed