SCHEMBL24378840

SCHEMBL24378840

CC1CC2(CCN(CCF)CC2)C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
PRMT1 Q99873 1/20 0.31
PRMT8 Q9NR22 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
SCHEMBL24378833 0.80 KDM1A (0.39) CYP1A2CYP2D6ALOX15CARM1PRMT6
SCHEMBL24378839 0.77 HSD11B1 (0.42) CYP1A2CYP2D6ALOX15
SCHEMBL15986991 0.77 ALOX15 (0.46) CYP1A2CYP2D6ALOX15
SCHEMBL25001374 0.77 OPRM1 (0.35) OPRM1OPRD1OPRK1CYP1A2CYP2D6
SCHEMBL15100017 0.77 TSHR (0.40) OPRM1OPRD1OPRK1
SCHEMBL24378832 0.76 ALDH1A1 (0.52) CYP1A2CYP2D6ALOX15
SCHEMBL23741032 0.76 WNT1 (0.33) WNT1GSK3BDYRK1AOPRM1OPRD1
SCHEMBL14414891 0.73 TSHR (0.32)
SCHEMBL22629445 0.73 SIGMAR1 (0.43) CYP1A2CYP2D6ALOX15
SCHEMBL24480556 0.72 ACHE (0.35)

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-2022083616-A1 QUINAZOLINE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF 贝达药业股份有限公司 2022-04-28 WO disclosed