SCHEMBL25027129

SCHEMBL25027129

CC1CCN(C2CCN(C3CCN(CC4CCNCC4)CC3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.53
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GBA1 P04062 2/20 0.36
GNAO1 P09471 1/20 0.36
CACNA2D1 P54289 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNB1 Q02641 1/20 0.35
OPRM1 P35372 2/20 0.33
OPRL1 P41146 2/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT1 Q99873 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2C P18825 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
EBP Q15125 1/20 0.33
DHCR7 Q9UBM7 1/20 0.33

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
SCHEMBL25856130 0.90 ACHE (0.46) ACHEPOLBKDM4EGBA1GNAO1
SCHEMBL13661595 0.89 ACHE (0.64) ACHEGBA1GNAO1CACNA2D1CACNA1B
Hydrochloric Acid SCHEMBL22033207 0.88 ACHE (0.62) ACHEGBA1GNAO1CACNA2D1CACNA1B
SCHEMBL13247999 0.88 ACHE (0.62) ACHEPOLBKDM4EOPRM1OPRL1
SCHEMBL29317185 0.87 ACHE (0.44) ACHEPOLBKDM4EGBA1GNAO1
SCHEMBL29317239 0.85 ACHE (0.41) ACHEPOLBKDM4EGBA1CACNA2D1
SCHEMBL24480218 0.85 ACHE (0.50) ACHEPOLBKDM4EOPRM1OPRL1
SCHEMBL24196541 0.83 CHRM5 (0.48) ACHEKDM4EGBA1CACNA2D1CACNA1B
SCHEMBL25027108 0.82 ACHE (0.38) ACHEPOLBKDM4EGBA1
SCHEMBL25856386 0.82 ACHE (0.38) ACHEGBA1GNAO1CACNA2D1CACNA1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4397661-A1 COMPOUND FOR DEGRADATION OF BCL-2 FAMILY PROTEINS AND MEDICAL APPLICATION THEREOF Xizang Haisco Pharmaceutical Co., Ltd. (CN) 2024-07-10 EP disclosed
WO-2023016518-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2023-02-16 WO disclosed