SCHEMBL18862012

SCHEMBL18862012

O=C(Nc1cccc(F)c1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.77
NPC1 O15118 1/20 0.69
CCR3 P51677 3/20 0.63
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ALDH1A1 P00352 1/20 0.56
CYP2D6 P10635 1/20 0.56
LMNA P02545 1/20 0.55

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
SCHEMBL1575818 0.89 CCR3 (0.62) FAAHNPC1CCR3MEN1KMT2A
SCHEMBL3600315 0.87 FAAH (1.00) FAAHCCR3MEN1KMT2ASMN1; SMN2
SCHEMBL3594301 0.86 FAAH (1.00) FAAHCCR3MEN1KMT2ASMN1; SMN2
SCHEMBL17742829 0.86 FAAH (0.77) FAAHNPC1CCR3MEN1KMT2A
SCHEMBL830207 0.82 FAAH (0.74) FAAHCCR3MEN1KMT2ASMN1; SMN2
SCHEMBL5358819 0.81 FAAH (0.85) FAAHCCR3MEN1KMT2ASMN1; SMN2
SCHEMBL13841263 0.80 LMNA (0.81) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1575084 0.80 FAAH (0.60) FAAHCCR3MEN1KMT2ASMN1; SMN2
SCHEMBL23573500 0.79 NPC1 (0.70) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13234936 0.79 FAAH (0.82) FAAHNPC1MEN1KMT2ASMN1; SMN2

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
WO-2017083242-A1 INHIBITORS OF SUPPRESSION OF TUMORIGENCITY 2 (ST2) AND METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-05-18 WO disclosed