SCHEMBL6007973

SCHEMBL6007973

O=C(O)[C@@]12CC1CN(CCc1ccccc1)C2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.47
HSD11B1 P28845 1/20 0.46
HTR2A P28223 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
SLC6A3 Q01959 1/20 0.42
ARG1 P05089 1/20 0.42
ARG2 P78540 1/20 0.42
GBA1 P04062 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
ACHE P22303 1/20 0.41
AGTR2 P50052 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
SCHEMBL6007978 1.00 GRM2 (0.47) GRM2HSD11B1HTR2AMEN1KMT2A
SCHEMBL4487651 0.85 S1PR1 (0.47) HSD11B1MEN1KMT2AARG1ARG2
SCHEMBL3259925 0.85 S1PR1 (0.47) HSD11B1MEN1KMT2AARG1ARG2
SCHEMBL3228487 0.85 S1PR1 (0.47) HSD11B1MEN1KMT2AARG1ARG2
Hydrochloric Acid SCHEMBL15312500 0.84 BCHE (0.46) HSD11B1MEN1KMT2AARG1ARG2
SCHEMBL4673419 0.74 KCNA3 (0.48) MEN1KMT2AOPRM1
SCHEMBL4673416 0.74 KCNA3 (0.48) MEN1KMT2AOPRM1
SCHEMBL11461429 0.74 SLC6A3 (0.45) KCNH2SIGMAR1SLC6A3ACHE
SCHEMBL27671990 0.73 SLC6A3 (0.52) GRM2HSD11B1HTR2AMEN1KMT2A
SCHEMBL7510207 0.72 SLC6A3 (0.44) GRM2SIGMAR1SLC6A3GBA1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0924213-B1 PYRIDOBENZOXAZINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2006-06-28 EP disclosed
EP-0807630-B1 HETEROCYCLIC COMPOUNDS DAIICHI SEIYAKU CO (JP) 2003-05-07 EP disclosed
EP-1304329-A2 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-23 EP disclosed
US-6191129-B1 MICROBIOCIDES, BACTERICIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-02-20 US disclosed
EP-0924213-A1 PYRIDOBENZOXAZINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-06-23 EP disclosed
EP-0807630-A1 HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed