SCHEMBL26023136

SCHEMBL26023136

CCC(C)N1CCC(N2CCC(O)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.35
OPRL1 P41146 3/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
SHBG P04278 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
OPRM1 P35372 2/20 0.34
DPP4 P27487 2/20 0.33
TP53 P04637 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CHRM1 P11229 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
SCHEMBL6628149 0.89 SHBG (0.41) HRH3SHBGKDM4EDPP4
SCHEMBL23467566 0.89 SHBG (0.41) HRH3SHBGKDM4EDPP4
SCHEMBL23114309 0.89 SHBG (0.41) HRH3SHBGKDM4EDPP4
SCHEMBL23784287 0.81 L3MBTL3 (0.42) HRH3OPRL1OPRM1TP53SIGMAR1
SCHEMBL12026451 0.81 HRH3 (0.40) HRH3OPRL1OPRD1OPRK1
SCHEMBL22456358 0.80 TSHR (0.40) HRH3OPRL1OPRM1TP53SIGMAR1
SCHEMBL24485993 0.79 HRH3 (0.43) HRH3OPRL1OPRM1TP53CHRM1
SCHEMBL22280407 0.79 SMN1; SMN2 (0.36) HRH3OPRL1KDM4ETP53
SCHEMBL19098326 0.78 OPRL1 (0.34) HRH3OPRL1OPRD1OPRK1OPRM1
SCHEMBL12073908 0.77 DPP4 (0.44) HRH3SHBGKDM4EDPP4

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
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 EP disclosed