SCHEMBL29227124

SCHEMBL29227124

CN1CCN(CCCc2c(OCc3ccc(F)cc3)ccc3ccccc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 14/20 0.61
▸ LMNA P02545 1/20 0.56
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.48

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
SCHEMBL29227135 0.94 LMNA (0.58) MC4RLMNAMEN1KMT2AKDM4E
SCHEMBL29227112 0.87 LMNA (0.60) MC4RLMNAMEN1KMT2AKDM4E
SCHEMBL29227117 0.86 LMNA (0.59) MC4RLMNAMEN1KMT2AKDM4E
SCHEMBL29227251 0.85 MC4R (0.51) MC4RLMNAMEN1KMT2AKDM4E
SCHEMBL30873550 0.84 LMNA (0.57) MC4RLMNAMEN1KMT2AKDM4E
SCHEMBL29227161 0.83 LMNA (0.52) MC4RLMNAMEN1KMT2AKDM4E
SCHEMBL29227359 0.83 LMNA (0.45) MC4RLMNAMEN1KMT2A
SCHEMBL29227120 0.83 PRMT5 (0.53) MC4RLMNAMEN1KMT2A
SCHEMBL29227101 0.82 LMNA (0.55) MC4RLMNAMEN1KMT2AKDM4E
SCHEMBL29227088 0.82 LMNA (0.55) MC4RLMNAMEN1KMT2AKDM4E

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
CN-117946031-A Substituted aromatic phenol derivatives of KNa1.1 channel inhibitors 北京大学 2024-04-30 — — CN claimed
CN-117946031-A Substituted aromatic phenol derivatives of KNa1.1 channel inhibitors 北京大学 2024-04-30 — — CN disclosed
Send feedback