SCHEMBL26242002

SCHEMBL26242002

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.59
ELANE P08246 2/20 0.43
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.39
RAB9A P51151 1/20 0.39
BRD4 O60885 1/20 0.39
CACNA1G O43497 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL26242001 0.92 HRH3 (0.57) HRH3ELANEKMT2AKDM4ESMN1; SMN2
SCHEMBL26240558 0.90 HRH3 (0.57) HRH3ELANEKMT2AKDM4ESMN1; SMN2
SCHEMBL26242004 0.89 HRH3 (0.55) HRH3ELANEKMT2AKDM4ESMN1; SMN2
SCHEMBL26241987 0.87 HRH3 (0.53) HRH3ELANEKMT2AKDM4ESMN1; SMN2
SCHEMBL26240548 0.76 HRH3 (0.57) HRH3ELANEKMT2AKDM4EMEN1
SCHEMBL3386983 0.74 HRH3 (1.00) HRH3ELANE
SCHEMBL7424821 0.64 HRH3 (0.59) HRH3ELANEKMT2ARAB9ACACNA1G
SCHEMBL7424959 0.62 HRH3 (0.57) HRH3ELANEKMT2ARAB9ACACNA1G
SCHEMBL7427115 0.62 HRH3 (0.57) HRH3ELANEKDM4ESMN1; SMN2CACNA1G
Potassium Ion SCHEMBL7424963 0.61 HRH3 (0.56) HRH3ELANESMN1; SMN2RAB9ACACNA1G

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