SCHEMBL31324554

SCHEMBL31324554

COc1ccccc1CN[C@H]1CCCC[C@@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 8/20 0.53
▸ KDM1A O60341 2/20 0.48
▸ MAOA P21397 2/20 0.48
▸ MAOB P27338 1/20 0.48
▸ TSHR P16473 1/20 0.46
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 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
SCHEMBL31324487 0.87 KDM4E (0.43) TACR1KDM1AMAOAMAOBTSHR
SCHEMBL22981482 0.83 EPHX2 (0.38) TACR1KDM4E
SCHEMBL31324528 0.78 TSHR (0.34) TACR1TSHRLMNAALDH1A1KDM4E
SCHEMBL25698598 0.77 HPGD (0.39) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL24316220 0.76 TACR1 (0.60) TACR1KDM1AMAOAMAOBTSHR
SCHEMBL31324516 0.74 HSD11B1 (0.33) TSHRMEN1KMT2AALDH1A1GAA
SCHEMBL31324515 0.74 CARM1 (0.40) TACR1KDM1AMAOAMAOBLMNA
SCHEMBL31324532 0.73 KDM1A (0.51) KDM1AKMT2ALMNA
SCHEMBL9294551 0.72 TACR1 (0.69) TACR1KDM1AMAOAMAOB
SCHEMBL27327207 0.72 TACR1 (0.69) TACR1KDM1AMAOAMAOB

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
EP-4013751-B1 2-HYDROXYCYCLOALKANE-1-CARBAMOYL DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2025-01-22 — — EP disclosed
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