SCHEMBL9530838

SCHEMBL9530838

CC1(N2CCN(c3cnccn3)CC2)CN(c2ccccc2)c2ccccc2O1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
SLC6A7 Q99884 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPT P10636 1/20 0.37
ACHE P22303 1/20 0.37
DRD4 P21917 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
NPY1R P25929 1/20 0.35
SORD Q00796 1/20 0.34
ALDH1A1 P00352 1/20 0.34
OPRM1 P35372 3/20 0.33
GPR119 Q8TDV5 1/20 0.33
TP53 P04637 1/20 0.33
KCNH2 Q12809 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
OPRL1 P41146 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
SCHEMBL9697283 0.88 KCNH2 (0.41) L3MBTL1LMNAKDM4EMAPTACHE
SCHEMBL9530054 0.83 SIGMAR1 (0.39) LMNAMAPTDRD4NPY1RALDH1A1
SCHEMBL9455127 0.76 DRD2 (0.46) LMNAKDM4EMAPTDRD4ALDH1A1
SCHEMBL9529274 0.75 ALDH1A1 (0.43) LMNAMAPTALDH1A1SIGMAR1
SCHEMBL9530276 0.75 MAPT (0.45) LMNAMAPTDRD4NPY1RALDH1A1
SCHEMBL9530828 0.72 KDM4E (0.45) L3MBTL1LMNASLC6A7KDM4EDRD4
SCHEMBL9455326 0.69 L3MBTL1 (0.47) L3MBTL1LMNAKDM4EMAPTALDH1A1
SCHEMBL9455304 0.67 OPRM1 (0.43) LMNAKDM4EMAPTDRD4OPRM1
Hydrochloric Acid SCHEMBL9455139 0.67 CCR3 (0.43) LMNAKDM4EDRD4OPRM1GPR119
SCHEMBL9455323 0.64 OPRM1 (0.41) LMNAKDM4EMAPTDRD4OPRM1

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
EP-0359790-B1 1,4-BENZOXAZINE AND 1,4-BENZOTHIAZINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION ERBA CARLO SPA (IT) 1993-11-03 EP disclosed
US-5084454-A Tranquilizers and antinausea drugs FARMITALIA CARLO ERBA S.R.L. (IT) 1992-01-28 US disclosed