SCHEMBL26242001

SCHEMBL26242001

CC(C)C(O)CN1CCN(Cc2nc(C(=O)N3CCN(C4CCCC4)CC3)co2)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.57
ELANE P08246 2/20 0.42
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.38
RAB9A P51151 1/20 0.38
CACNA1G O43497 3/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.36
SMYD2 Q9NRG4 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL26242002 0.92 HRH3 (0.59) HRH3ELANEKMT2AKDM4ESMN1; SMN2
SCHEMBL26240558 0.89 HRH3 (0.57) HRH3ELANEKMT2AKDM4ESMN1; SMN2
SCHEMBL26242004 0.87 HRH3 (0.55) HRH3ELANEKMT2AKDM4ESMN1; SMN2
SCHEMBL26241987 0.85 HRH3 (0.53) HRH3ELANEKMT2AKDM4ESMN1; SMN2
SCHEMBL26240548 0.74 HRH3 (0.57) HRH3ELANEKMT2AKDM4EMEN1
SCHEMBL3386983 0.73 HRH3 (1.00) HRH3ELANE
SCHEMBL3386053 0.70 HRH3 (1.00) HRH3
SCHEMBL7424821 0.62 HRH3 (0.59) HRH3ELANEKMT2ARAB9ACACNA1G
SCHEMBL3382832 0.61 HRH3 (0.61) HRH3ELANEKMT2ASMN1; SMN2RAB9A
SCHEMBL7424959 0.61 HRH3 (0.57) HRH3ELANEKMT2ARAB9ACACNA1G

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-2023171448-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASE TO BE PREVENTED OR TREATED BY DEACTIVATION OF MYOFIBROBLASTS 学校法人東海大学 2023-09-14 WO disclosed