SCHEMBL21227827

SCHEMBL21227827

C=Nc1cc(C)ccc1CCC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ LDHA P00338 1/20 0.30
▸ LDHB P07195 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2A6 P11509 1/20 0.30

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
SCHEMBL19337478 0.85 TAAR1 (0.37) TAAR1MEN1KMT2ATSHRHSD17B10
SCHEMBL19673988 0.83 KMT2A (0.34) TAAR1KMT2AALDH1A1NPC1RAB9A
SCHEMBL29293271 0.79 KCNH2 (0.36) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL14394943 0.77 SIGMAR1 (0.32) TAAR1
SCHEMBL25859426 0.76 — —
SCHEMBL16959716 0.74 TAAR1 (0.41) TAAR1MEN1KMT2ATSHRHSD17B10
SCHEMBL18597323 0.74 CYP3A4 (0.42) TAAR1ALDH1A1
SCHEMBL598097 0.73 TAAR1 (0.43) TAAR1MEN1KMT2AALDH1A1HTT
SCHEMBL10822849 0.73 TAAR1 (0.43) TAAR1MEN1KMT2ATSHRHSD17B10
SCHEMBL9629541 0.71 TAAR1 (0.42) TAAR1MEN1KMT2ATSHRHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3672958-B1 ANNULATED GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2023-08-02 — — EP disclosed
WO-2019152731-A1 ANDROGEN RECEPTOR ANTAGONISTS ALPINE ANDROSCIENCES, INC. (US) 2019-08-08 — — WO disclosed
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