SCHEMBL25840877

SCHEMBL25840877

CCN1CCC(C)(CF)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.33
OPRM1 P35372 2/20 0.31
OPRD1 P41143 2/20 0.31
OPRK1 P41145 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL13082726 0.80 KDM4E (0.36) KDM4EGAATSHROPRM1OPRD1
SCHEMBL3477253 0.76 KDM4E (0.46) KDM4EGAATSHROPRM1OPRD1
SCHEMBL92656 0.76 GAA (0.34) KDM4EGAATSHROPRM1OPRD1
SCHEMBL10179741 0.75 KDM4E (0.36) KDM4EGAATSHROPRM1OPRD1
SCHEMBL6922492 0.74 GAA (0.38) KDM4EGAATSHROPRM1OPRD1
SCHEMBL15806842 0.73 OPRM1 (0.33) KDM4EGAATSHROPRM1OPRD1
SCHEMBL21651974 0.73 KDM4E (0.33) KDM4EGAATSHR
SCHEMBL22254744 0.73 CYP2D6 (0.34) KDM4EGAATSHR
SCHEMBL92634 0.73 KDM4E (0.33) KDM4EGAATSHR
SCHEMBL20008009 0.73 KDM4E (0.33) KDM4EGAATSHR

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-2023116763-A1 PYRIDAZINE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海优理惠生医药有限公司 2023-06-29 WO disclosed