SCHEMBL7719847

SCHEMBL7719847

O=C(NC1CCNC1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.51
EPHX2 P34913 1/20 0.50
CCR2 P41597 2/20 0.48
GAA P10253 1/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
GLA P06280 1/20 0.40
HSD11B1 P28845 1/20 0.40
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 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
SCHEMBL7719878 1.00 EPHX1 (0.51) EPHX1EPHX2CCR2GAAKMT2A
SCHEMBL7719843 1.00 EPHX1 (0.51) EPHX1EPHX2CCR2GAAKMT2A
SCHEMBL5144107 0.90 EPHX1 (0.61) EPHX1EPHX2CCR2GAAKMT2A
SCHEMBL4003535 0.80 EPHX1 (0.40) EPHX1EPHX2CCR2GAAKMT2A
SCHEMBL28826584 0.80 EPHX1 (0.67) EPHX1EPHX2CCR2GAAKMT2A
Hydrochloric Acid SCHEMBL4152526 0.79 EPHX1 (0.40) EPHX1EPHX2CCR2GAAKMT2A
SCHEMBL4153131 0.78 EPHX1 (0.41) EPHX1EPHX2CCR2GAAKMT2A
SCHEMBL19173472 0.77 LMNA (0.53) GAAKMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL16064910 0.77 EPHX1 (0.63) EPHX1EPHX2CCR2GAAKMT2A
SCHEMBL16064908 0.77 GAA (0.66) EPHX1EPHX2CCR2GAAKMT2A

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
US-6468998-B1 ANTAGONIZE SEROTONIN 2 RECEPTORS, SUPPRESS PLATELET AGGREGATION, IMPROVE PERIPHERAL CIRCULATION AND PROMOTE LACHRYMATION MITSUBISHI PHARMA CORPORATION (JP) 2002-10-22 US disclosed
EP-1125922-A1 PYRROLIDINE COMPOUNDS AND MEDICINAL UTILIZATION THEREOF Welfide Corporation (JP) 2001-08-22 EP disclosed