SCHEMBL26242004

SCHEMBL26242004

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.55
ELANE P08246 2/20 0.39
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.37
RAB9A P51151 1/20 0.37
CACNA1G O43497 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMYD2 Q9NRG4 1/20 0.36
POLB P06746 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL26241987 0.95 HRH3 (0.53) HRH3ELANEKMT2AKDM4ESMN1; SMN2
SCHEMBL26240558 0.93 HRH3 (0.57) HRH3ELANEKMT2AKDM4ESMN1; SMN2
SCHEMBL26242002 0.89 HRH3 (0.59) HRH3ELANEKMT2AKDM4ESMN1; SMN2
SCHEMBL26242001 0.87 HRH3 (0.57) HRH3ELANEKMT2AKDM4ESMN1; SMN2
SCHEMBL26240548 0.73 HRH3 (0.57) HRH3ELANEKMT2AKDM4EMEN1
SCHEMBL3386983 0.71 HRH3 (1.00) HRH3ELANE
SCHEMBL7424821 0.61 HRH3 (0.59) HRH3ELANEKMT2ARAB9ACACNA1G
SCHEMBL11668191 0.61
SCHEMBL2800684 0.61 KMT2A (0.48) KMT2AKDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL7423841 0.60 HRH3 (0.55) HRH3ELANEKMT2AKDM4ERAB9A

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