SCHEMBL4967412

SCHEMBL4967412

O=C(O)c1ccccc1N1CCC(CN2CCC(Cc3ccc(F)cc3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 6/20 0.55
HRH1 P35367 1/20 0.55
KCNH2 Q12809 1/20 0.55
MAPT P10636 2/20 0.53
LPL P06858 1/20 0.53
LIPG Q9Y5X9 1/20 0.53
HTT P42858 1/20 0.51
GFER P55789 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL4968976 0.87 CCR3 (0.57) CCR3MEN1KMT2A
SCHEMBL4969395 0.85 LIPG (0.57) CCR3MAPTLPLLIPGSIGMAR1
SCHEMBL4970299 0.81 CCR3 (0.52) CCR3MEN1KMT2ASIGMAR1
SCHEMBL4965105 0.77 CCR3 (0.49) CCR3LPLLIPG
SCHEMBL14110626 0.75 HRH1 (0.65) CCR3HRH1KCNH2MEN1KMT2A
SCHEMBL27751691 0.75 HRH1 (0.65) CCR3HRH1KCNH2MEN1KMT2A
SCHEMBL4969175 0.74 MAPT (0.53) CCR3HRH1KCNH2MAPTLPL
SCHEMBL7780277 0.74 MAPT (0.60) MAPTHTTGFERSMN1; SMN2MEN1
SCHEMBL4968592 0.73 HRH1 (0.80) CCR3HRH1KCNH2
SCHEMBL11892981 0.73 DRD2 (0.54) CCR3SMN1; SMN2SIGMAR1

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-1625114-B1 Piperidine derivatives for the the treatment of chemokine or H1 mediated diseases ASTRAZENECA AB (SE) 2008-08-27 EP disclosed