SCHEMBL25856202

SCHEMBL25856202

CCN1CCC(CN2CCC(N3CCC(C)C3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
OPRM1 P35372 2/20 0.37
OPRL1 P41146 2/20 0.37
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.35
OPRK1 P41145 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CHRM5 P08912 1/20 0.32
ADRA2C P18825 1/20 0.32
EPHX1 P07099 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL25924829 0.88 SMN1; SMN2 (0.46) ACHEOPRM1OPRL1KDM4EPOLB
SCHEMBL24891085 0.82 ACHE (0.67) ACHEOPRM1OPRL1THRBSMN1; SMN2
SCHEMBL24838817 0.81 KMT2A (0.42) ACHEOPRM1OPRL1KMT2APOLB
SCHEMBL27258576 0.80 KMT2A (0.45) ACHEKMT2AKDM4EPOLBSMN1; SMN2
SCHEMBL24480579 0.80 ACHE (0.46) ACHEOPRM1OPRL1KDM4EOPRK1
SCHEMBL24480610 0.80 ACHE (0.53) ACHEOPRM1OPRL1KDM4EOPRK1
SCHEMBL13247999 0.79 ACHE (0.62) ACHEOPRM1OPRL1KMT2AKDM4E
SCHEMBL11919193 0.79 KDM4E (0.50) ACHEOPRM1OPRL1KMT2AKDM4E
SCHEMBL11919254 0.78 KMT2A (0.47) ACHEOPRM1OPRL1KMT2AKDM4E
SCHEMBL24480965 0.77 KMT2A (0.39) ACHEOPRM1OPRL1KMT2APOLB

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-2023131167-A1 COMPOUND FOR INHIBITING AND DEGRADING IRAK4, AND PHARMACEUTICAL COMPOSITION AND PHARMACEUTICAL APPLICATION THEREOF 海思科医药集团股份有限公司 2023-07-13 WO disclosed