SCHEMBL25477376

SCHEMBL25477376

CN1CC(N2CCC(C(C)(C)C)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2D6 P10635 2/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
OPRM1 P35372 3/20 0.33
OPRK1 P41145 3/20 0.33
OPRL1 P41146 3/20 0.33
TRPV6 Q9H1D0 1/20 0.31
CYP1A2 P05177 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL25507216 0.96 MEN1 (0.36) MEN1KMT2ACYP2D6KCNH2HRH3
SCHEMBL25513416 0.96 MEN1 (0.33) MEN1KMT2ACYP2D6KCNH2HRH3
SCHEMBL107432 0.83 OPRL1 (0.38) MEN1KMT2ACYP2D6KCNH2HRH3
SCHEMBL24185791 0.83 OPRL1 (0.38) MEN1KMT2ACYP2D6KCNH2HRH3
SCHEMBL803132 0.81 MEN1 (0.45) MEN1KMT2ACYP2D6KCNH2HRH3
SCHEMBL23594004 0.81 MEN1 (0.33) MEN1KMT2ACYP2D6KCNH2HRH3
SCHEMBL25659233 0.79
SCHEMBL25594480 0.79 MEN1 (0.47) MEN1KMT2ACYP2D6KCNH2HRH3
SCHEMBL23594121 0.78 CYP2D6 (0.49) MEN1KMT2ACYP2D6KCNH2HRH3
SCHEMBL24891108 0.78 HSD11B1 (0.42) MEN1KMT2ACYP2D6KCNH2HRH3

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-4310084-A1 PYRIDOPYRIMIDINE-BASED COMPOUND AND APPLICATION THEREOF Jinan University (CN) 2024-01-24 EP disclosed
EP-4180432-A1 COMPOUND HAVING BTK KINASE DEGRADING ACTIVITY, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREFOR Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-05-17 EP disclosed