SCHEMBL22794072

SCHEMBL22794072

CCCCO[C@H]1C[C@H](N(C)Cc2ccc(N3CCN(C(C)C)CC3)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 12/20 0.46
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ ME2 P23368 1/20 0.34
▸ ME1 P48163 1/20 0.34
▸ ME3 Q16798 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ LTB4R2 Q9NPC1 1/20 0.32

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
SCHEMBL25468376 0.91 HRH3 (0.38) HRH3KDM4EMAPTALDH1A1PKM
SCHEMBL25481255 0.88 HPGD (0.40) HRH3MAPTME2ME1ME3
SCHEMBL25108889 0.82 MAPT (0.38) KDM4EMAPTRORCSMN1; SMN2
SCHEMBL25108893 0.81 RORC (0.42) HRH3RORC
SCHEMBL22790756 0.77 HRH3 (0.58) HRH3KDM4EMAPTALDH1A1PKM
SCHEMBL25481258 0.77 CHKA (0.36) HRH3KDM4EMAPTALDH1A1RORC
SCHEMBL25109774 0.75 HRH3 (0.56) HRH3KDM4EMAPTALDH1A1PKM
SCHEMBL22794340 0.74 HRH3 (0.61) HRH3KDM4EMAPTALDH1A1PKM
SCHEMBL24513988 0.73 HRH3 (0.57) HRH3KDM4EMAPTALDH1A1PKM
SCHEMBL25110794 0.73 KDM4E (0.43) HRH3KDM4EMAPTALDH1A1PKM

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-2020251971-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 — — WO disclosed
Send feedback