SCHEMBL20198185

SCHEMBL20198185

CC1(C)OB(c2ccc(CN3CCNCC3)c(F)c2)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.49
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39
SLC6A4 P31645 2/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM2 P08172 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
LPL P06858 2/20 0.38
LIPG Q9Y5X9 2/20 0.38
APOBEC3A P31941 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
CXCR3 P49682 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
CYP2A13 Q16696 1/20 0.34
SLC6A2 P23975 1/20 0.34
KCNH2 Q12809 1/20 0.34
SOS1 Q07889 2/20 0.34

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
SCHEMBL19211744 0.88 KDM4E (0.52) ROCK1KDM4ESMN1; SMN2LPLLIPG
SCHEMBL21644162 0.87 KDM4E (0.55) ROCK1KDM4ESMN1; SMN2LPLLIPG
SCHEMBL18579955 0.86 ROCK1 (0.53) ROCK1KDM4ESMN1; SMN2LPLLIPG
SCHEMBL428922 0.86 CYP2A13 (0.50) ROCK1KDM4ESMN1; SMN2LPLLIPG
SCHEMBL3264221 0.85 ROCK1 (0.49) ROCK1KDM4ESMN1; SMN2LPLLIPG
SCHEMBL3264764 0.85 ROCK1 (0.52) ROCK1KDM4ESMN1; SMN2LPLLIPG
SCHEMBL20680449 0.83 ROCK1 (0.47) ROCK1KDM4ESMN1; SMN2LPLLIPG
SCHEMBL2798956 0.83 ROCK1 (0.50) ROCK1KDM4ESMN1; SMN2LMNACYP1A2
SCHEMBL13517081 0.81 ROCK1 (0.48) ROCK1KDM4ESMN1; SMN2LMNALPL
SCHEMBL3263593 0.81 ROCK1 (0.50) ROCK1KDM4ESMN1; SMN2LPLLIPG

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-3326627-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME Abide Therapeutics, Inc. (US) 2018-05-30 EP disclosed