SCHEMBL26157130

SCHEMBL26157130

CC(=O)C1CCC(N2CCC(c3cnc(N4CCC(C)CC4)nc3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.39
▸ ADRA1A P35348 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ ACACB O00763 8/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ JAK3 P52333 2/20 0.35
▸ BTK Q06187 2/20 0.35
▸ LCK P06239 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL26157094 0.90 ACACB (0.43) KDM4EACACBCYP2C19KMT2AUSP2
SCHEMBL24461253 0.90 ACACB (0.43) KDM4EACACBCYP2C19KMT2AUSP2
SCHEMBL26157131 0.87 HRH3 (0.41) HRH3ADRA1AKDM4ECYP2C19KMT2A
SCHEMBL26157132 0.82 SLC18A3 (0.36) KDM4ECYP2C19JAK3BTKLCK
SCHEMBL25109073 0.80 JAK3 (0.34) ACACBJAK3BTKLCK
SCHEMBL25111181 0.80 JAK3 (0.34) ACACBJAK3BTKLCK
SCHEMBL24511405 0.79 JAK3 (0.34) KDM4ECYP2C19JAK3BTKLCK
SCHEMBL25475906 0.78 ACACB (0.45) ADRA1AKDM4EACACBCYP2C19KMT2A
SCHEMBL25475903 0.78 ACACB (0.45) ADRA1AKDM4EACACBCYP2C19KMT2A
SCHEMBL25604691 0.78 ACACB (0.45) ADRA1AKDM4EACACBCYP2C19KMT2A

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-2023093728-A1 BRM SELECTIVE DEGRADATION AGENT COMPOUND AND USE THEREOF 江苏先声药业有限公司 2023-06-01 — — WO disclosed
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