SCHEMBL8245727

SCHEMBL8245727

CN1CCN(CCCNc2ccc(F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ TSHR P16473 1/20 0.52
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ SCN5A Q14524 2/20 0.46
▸ MAPT P10636 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CACNA1B Q00975 2/20 0.44
▸ MPO P05164 1/20 0.44
▸ CTNNB1 P35222 1/20 0.43
▸ TCF7L2 Q9NQB0 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ CACNA1H O95180 1/20 0.43

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
SCHEMBL8245902 0.90 ALDH1A1 (0.51) USP2ALDH1A1HPGDTSHRMAPT
SCHEMBL19623526 0.87 MAPT (0.52) ALDH1A1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL8243176 0.86 USP2 (0.44) USP2ALDH1A1HPGDTSHRRAB9A
SCHEMBL3576656 0.85 LMNA (0.51) USP2ALDH1A1HPGDRAB9AMAPT
SCHEMBL11096321 0.85 SIGMAR1 (0.56) ALDH1A1RAB9AMAPTKMT2AMC4R
Hydrochloric Acid SCHEMBL4809788 0.84 LMNA (0.50) ALDH1A1TSHRRAB9AMAPTLMNA
SCHEMBL8243016 0.82 LMNA (0.58) ALDH1A1RAB9ATP53LMNANPSR1
SCHEMBL14262613 0.81 KMT2A (0.43) USP2ALDH1A1HPGDTSHRRAB9A
SCHEMBL2378167 0.79 KMT2A (0.70) ALDH1A1HPGDSMN1; SMN2MAPTLMNA
Hydrochloric Acid SCHEMBL11678483 0.78 DRD2 (0.58) ALDH1A1SMN1; SMN2LMNANPSR1

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-2007025776-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 — — WO disclosed
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