SCHEMBL13738461

SCHEMBL13738461

CCN1CCC(N(C)C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
OPRM1 P35372 3/20 0.41
SIGMAR1 Q99720 2/20 0.41
CCR5 P51681 6/20 0.39
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL13738460 1.00 HRH3 (0.43) HRH3SMN1; SMN2OPRM1SIGMAR1CCR5
SCHEMBL15668110 1.00 HRH3 (0.43) HRH3SMN1; SMN2OPRM1SIGMAR1CCR5
SCHEMBL2053926 0.89 SMN1; SMN2 (0.48) HRH3SMN1; SMN2OPRM1SIGMAR1CCR5
SCHEMBL8418349 0.86 LTA4H (0.44) HRH3SMN1; SMN2SIGMAR1CCR5
SCHEMBL14155733 0.86 LTA4H (0.44) HRH3SMN1; SMN2SIGMAR1CCR5
SCHEMBL14155716 0.86 LTA4H (0.44) HRH3SMN1; SMN2SIGMAR1CCR5
SCHEMBL24326958 0.84 SIGMAR1 (0.44) HRH3SMN1; SMN2OPRM1SIGMAR1CCR5
SCHEMBL8422214 0.84 HRH3 (0.42) HRH3SMN1; SMN2OPRM1SIGMAR1CCR5
SCHEMBL3679202 0.81 SIGMAR1 (0.42) OPRM1SIGMAR1CCR5CYP1A2CYP3A4
SCHEMBL1306321 0.78 SMN1; SMN2 (0.39) HRH3SMN1; SMN2OPRM1SIGMAR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2916833-A1 METHODS OF TREATING LIVER DISEASES Zafgen, Inc. (US) 2015-09-16 EP disclosed
WO-2014071368-A1 METHODS OF TREATING LIVER DISEASES ZAFGEN, INC. (US) 2014-05-08 WO disclosed
WO-2012154676-A9 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC. (US) 2014-03-27 WO disclosed
EP-2705030-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC. (US) 2014-03-12 EP disclosed
WO-2012154676-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-11-15 WO disclosed