SCHEMBL9544432

SCHEMBL9544432

CN1CCC(C(=O)N2CC=CC3=C2Nc2ccccc2C(=O)N3)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RIPK1 Q13546 1/20 0.34
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
PDGFRA P16234 1/20 0.33
FER P16591 1/20 0.33
LTK P29376 1/20 0.33
CDK8 P49336 1/20 0.33
ACVR1 Q04771 1/20 0.33
LRRK2 Q5S007 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL8589270 0.80 LMNA (0.48) ALDH1A1USP2LMNACYP1A2CHRM2
SCHEMBL1933106 0.70 CYP1A2 (0.56) CYP1A2CHRM2CHRM4CHRM1CHRM3
SCHEMBL1934670 0.69 CHRM2 (0.63) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9202802 0.69 ALOX15 (0.53) RIPK1TSHR
SCHEMBL10483573 0.65 MEN1 (0.40) KDM4EGLAMEN1KMT2AALDH1A1
SCHEMBL9574157 0.65 CHRM2 (0.67) ALDH1A1USP2LMNACYP1A2CHRM2
Nuvenzepine SCHEMBL1817515 0.65 CHRM2 (0.56) ALDH1A1USP2LMNACYP1A2CHRM2
SCHEMBL10515664 0.64 POLB (0.38) KDM4EGLAMEN1KMT2AALDH1A1
SCHEMBL26136498 0.63 LRRK2 (0.37) KDM4EGLAALDH1A1PDGFRAFER
SCHEMBL10516167 0.62 PARP1 (0.37) KDM4EGLAMEN1KMT2AALDH1A1

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-1993013777-A1 METHOD OF USING M1-SELECTIVE ANTIMUSCARINIC PYRIDOBENZODIAZEPINONES IN AXIAL MYOPIA THERAPY MERCK & CO., INC. (US) 1993-07-22 WO disclosed