SCHEMBL25810418

SCHEMBL25810418

CC1(C)CCN(C(=O)C2CCOC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.43
CNR2 P34972 1/20 0.41
PIK3R1 P27986 4/20 0.41
PIK3CA P42336 4/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
NAMPT P43490 5/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL17176111 0.92 PIK3R1 (0.45) EPHX2CNR2PIK3R1PIK3CALMNA
SCHEMBL17176113 0.92 PIK3R1 (0.45) EPHX2CNR2PIK3R1PIK3CALMNA
SCHEMBL25840973 0.90 CNR2 (0.45) EPHX2CNR2PIK3R1PIK3CALMNA
SCHEMBL25810405 0.90 TSHR (0.49) LMNAMAPK1ALDH1A1L3MBTL1NPSR1
SCHEMBL25843141 0.86 LMNA (0.38) LMNAMAPK1ALDH1A1L3MBTL1NPSR1
SCHEMBL25810419 0.83 HSD11B1 (0.40) EPHX2CNR2PIK3R1PIK3CANAMPT
SCHEMBL25810420 0.83 EPHX2 (0.41) EPHX2CNR2PIK3R1PIK3CAHRH3
SCHEMBL26159929 0.81 EPHX2 (0.47) EPHX2CNR2PIK3R1PIK3CALMNA
SCHEMBL13013114 0.80 HPGD (0.57) EPHX2CNR2NAMPTALDH1A1HRH3
SCHEMBL25810394 0.80 HPGD (0.56) LMNAMAPK1ALDH1A1TSHRSMN1; SMN2

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
WO-2023125737-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF SILEXON AI TECHNOLOGY CO., LTD. (CN) 2023-07-06 WO disclosed
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