SCHEMBL25840973

SCHEMBL25840973

CC1(C)CCN(C(=O)C2CCCOC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.45
EPHX2 P34913 3/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 2/20 0.40
HSD11B1 P28845 1/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIK3R1 P27986 2/20 0.38
PIK3CA P42336 2/20 0.38

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
SCHEMBL25810418 0.90 EPHX2 (0.43) CNR2EPHX2ALDH1A1TSHRMAPK1
SCHEMBL25843141 0.83 LMNA (0.38) ALDH1A1CYP2C19TSHRMAPK1HSD11B1
SCHEMBL17176113 0.83 PIK3R1 (0.45) CNR2EPHX2ALDH1A1MAPK1HSD11B1
SCHEMBL17176111 0.83 PIK3R1 (0.45) CNR2EPHX2ALDH1A1MAPK1HSD11B1
SCHEMBL17809474 0.81 ALDH1A1 (0.57) ALDH1A1TSHRHSD11B1LMNAL3MBTL1
SCHEMBL25810399 0.81 ALDH1A1 (0.63) ALDH1A1TSHRHSD11B1LMNANPSR1
SCHEMBL17546315 0.81 EPHX2 (0.46) CNR2EPHX2ALDH1A1TSHRMAPK1
SCHEMBL25810405 0.80 TSHR (0.49) ALDH1A1TSHRMAPK1LMNAL3MBTL1
SCHEMBL25840964 0.80 ALDH1A1 (0.67) ALDH1A1TSHRHSD11B1LMNANPSR1
SCHEMBL25810394 0.77 HPGD (0.56) ALDH1A1TSHRMAPK1HSD11B1LMNA

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