SCHEMBL5671599

SCHEMBL5671599

N#Cc1cccc(OCC(=O)NC2CCNCC2)c1.O=C(COc1cccc(Cl)c1)NC1CCNCC1.O=C(COc1cccc(F)c1)NC1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.53
LMNA P02545 1/20 0.47
ATF4 P18848 1/20 0.47
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL5116283 0.88 SMN1; SMN2 (0.54) MCHR1LMNAATF4CYP1A2CYP3A4
SCHEMBL5124087 0.86 MCHR1 (0.61) MCHR1ATF4CHRM1CHRM3CYP1A2
SCHEMBL5122821 0.86 LMNA (0.58) LMNAATF4CYP1A2CYP3A4CYP2C19
SCHEMBL17658754 0.80 ATF4 (0.74) MCHR1LMNAATF4CYP1A2CYP3A4
SCHEMBL5670333 0.78 MCHR1 (0.51) MCHR1ATF4CHRM1CHRM3CYP1A2
SCHEMBL5671614 0.78 HTR1A (0.37) MCHR1CHRM1CHRM3
SCHEMBL4668785 0.76 MCHR1 (0.55) MCHR1ATF4KCNH2
SCHEMBL4668786 0.76 MCHR1 (0.55) MCHR1ATF4KCNH2
SCHEMBL4033699 0.75 ATF4 (0.81) LMNAATF4
SCHEMBL5123998 0.75 POLB (0.62) LMNAATF4CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730136-A1 N-PIPERIDINE DERIVATES AS CCR3 MODULATORS AstraZeneca AB (SE) 2006-12-13 EP claimed
WO-2005090330-A1 N-PIPERIDINE DERIVATES AS CCR3 MODULATORS ASTRAZENECA AB (SE) 2005-09-29 WO claimed
EP-1730136-A1 N-PIPERIDINE DERIVATES AS CCR3 MODULATORS AstraZeneca AB (SE) 2006-12-13 EP disclosed
WO-2005090330-A1 N-PIPERIDINE DERIVATES AS CCR3 MODULATORS ASTRAZENECA AB (SE) 2005-09-29 WO disclosed