SCHEMBL25629645

SCHEMBL25629645

CN1CCN(C(=O)C2CCOC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
LMNA P02545 1/20 0.53
HRH3 Q9Y5N1 1/20 0.48
NAMPT P43490 5/20 0.46
CNR2 P34972 1/20 0.45
PPP5C P53041 2/20 0.45
PPP2CA P67775 1/20 0.45
TFPI2 P48307 1/20 0.45
NPY4R P50391 1/20 0.45
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
EPHX2 P34913 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL21584689 1.00 HTT (0.54) HTTLMNAHRH3NAMPTCNR2
SCHEMBL26159917 0.90 HTT (0.60) HTTLMNAHRH3NAMPTCNR2
SCHEMBL4036894 0.89 HTT (0.62) HTTLMNAHRH3CNR2PPP5C
SCHEMBL26007359 0.85 HTT (0.56) HTTLMNAHRH3PPP5CPPP2CA
SCHEMBL13013114 0.83 HPGD (0.57) HTTHRH3NAMPTCNR2TSHR
SCHEMBL25629008 0.82 NAMPT (0.43) HTTHRH3NAMPTCNR2TSHR
SCHEMBL12385902 0.82 KMT2A (0.46) NAMPTCNR2TSHRALDH1A1EPHX2
SCHEMBL12518835 0.81 HPGD (0.61) LMNAHRH3NAMPTCNR2TSHR
SCHEMBL25633367 0.81 HRH3 (0.56) HRH3NAMPTCNR2
SCHEMBL26159929 0.81 EPHX2 (0.47) LMNAHRH3NAMPTCNR2EPHX2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023121413-A1 NOVEL BICYCLIC HETEROCYCLYL COMPOUND AND USE THEREOF 제일약품주식회사 2023-06-29 WO disclosed
WO-2023098825-A1 SOS1 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 勤浩医药(苏州)有限公司 2023-06-08 WO disclosed
WO-2023093832-A1 TRICYCLIC DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海济煜医药科技有限公司 2023-06-01 WO disclosed