SCHEMBL29227249

SCHEMBL29227249

CC1CCN(CCCC(N)Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ MC4R P32245 9/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ DRD4 P21917 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL29227251 0.90 MC4R (0.51) LMNAMC4RKDM4EMEN1KMT2A
SCHEMBL29227129 0.85 LMNA (0.49) LMNAMC4RALDH1A1
SCHEMBL29227144 0.85 LMNA (0.45) LMNAMC4RALDH1A1
SCHEMBL29227194 0.84 DRD2 (0.51) LMNAMC4RKDM4EMEN1KMT2A
SCHEMBL29227161 0.84 LMNA (0.52) LMNAMC4RKDM4EMEN1KMT2A
SCHEMBL29227101 0.84 LMNA (0.55) HRH3LMNAMC4RKDM4EMEN1
SCHEMBL29227384 0.82 ABCB1 (0.46) HRH3LMNAMC4R
SCHEMBL29227077 0.82 LMNA (0.57) HRH3LMNAKDM4EMEN1KMT2A
SCHEMBL29227087 0.81 LMNA (0.56) HRH3LMNAMC4RKDM4EMEN1
SCHEMBL29227228 0.80 LMNA (0.60) LMNAKDM4EMEN1KMT2AALDH1A1

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