SCHEMBL9665683

SCHEMBL9665683

NC1(OC(=O)O)CC1c1c[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 1/20 0.47
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HTR2C P28335 5/20 0.44
HTR2A P28223 3/20 0.44
HTR2B P41595 3/20 0.44
IDO1 P14902 3/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.42
BRD4 O60885 1/20 0.42
POLB P06746 1/20 0.42
CREBBP Q92793 1/20 0.42
HSD11B1 P28845 1/20 0.41
ADRB2 P07550 1/20 0.40
ATM Q13315 1/20 0.40
CNR2 P34972 1/20 0.39
NR4A2 P43354 1/20 0.39
GPR84 Q9NQS5 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
SCHEMBL9665674 0.80 ALDH1A1 (0.48) PDE1CALDH1A1GAAMAPTHTR2C
SCHEMBL9666944 0.74 KDM1A (0.48)
SCHEMBL6926221 0.69 PDE1C (0.47) PDE1CALDH1A1GAAMAPTHTR2C
SCHEMBL6926219 0.69 PDE1C (0.47) PDE1CALDH1A1GAAMAPTHTR2C
SCHEMBL2120960 0.66 ALDH1A1 (0.43) PDE1CALDH1A1GAAMAPTHTR2C
SCHEMBL20558927 0.66 HTR2C (0.59) PDE1CALDH1A1GAAMAPTHTR2C
SCHEMBL10253774 0.66 HTR2C (0.59) PDE1CALDH1A1GAAMAPTHTR2C
SCHEMBL9665806 0.65 GAA (0.35) ALDH1A1GAAMAPTLMNAKDM4E
SCHEMBL9703341 0.65 HTR2C (0.60) ALDH1A1HTR2CHTR2AHTR2BKDM4E
SCHEMBL3264451 0.64 ALDH1A1 (0.69) PDE1CALDH1A1GAAMAPTHTR2C

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
EP-0135429-B1 THE SYNTHESIS OF CYCLOPROPANE AMINO ACIDS AND PEPTIDES THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1992-03-18 EP claimed