SCHEMBL6975759

SCHEMBL6975759

Clc1ccc(Cn2cc(CNCCc3ccccn3)c(CN3CCC(c4ccccc4)(c4ccccc4)CC3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 1/20 0.38
FPR3 P25089 1/20 0.37
EGLN1 Q9GZT9 1/20 0.35
CNR1 P21554 1/20 0.35
GAA P10253 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34
CCR3 P51677 1/20 0.34
CXCR4 P61073 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6967508 0.84 DPP7 (0.41) KDM4EGAACCR3CXCR4CYP2D6
SCHEMBL6966441 0.83 OPRL1 (0.38) LMNARAB9ACCR3CXCR4SMN1; SMN2
SCHEMBL6966767 0.83 LSS (0.37) MEN1KMT2AEGLN1TP53CCR3
SCHEMBL6978231 0.82 L3MBTL1 (0.40) KDM4ELMNAMEN1KMT2ACYP1A2
SCHEMBL6968412 0.81 OPRL1 (0.39) LMNARAB9ACCR3SMN1; SMN2
SCHEMBL6976709 0.80 CCR3 (0.45) KDM4ELMNAMEN1KMT2ARAB9A
SCHEMBL6967295 0.79 CCR3 (0.42) KDM4ECCR3ALDH1A1
SCHEMBL6973584 0.77 SIGMAR1 (0.40) KDM4ECCR3ALDH1A1
SCHEMBL6968225 0.75 SMN1; SMN2 (0.42) LMNARAB9ACCR3SMN1; SMN2ALDH1A1
SCHEMBL6977411 0.75 CCR3 (0.41) KDM4ELMNAMEN1KMT2ACCR3

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
US-6566376-B1 For therapy of chemokine receptor related diseases and conditions such as rheumatoid arthritis, chronic obstructive pulmonary disease ASTRAZENECA UK LIMITED (GB) 2003-05-20 US claimed
EP-1202984-B1 DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LTD (GB) 2003-03-05 EP claimed
US-6566376-B1 For therapy of chemokine receptor related diseases and conditions such as rheumatoid arthritis, chronic obstructive pulmonary disease ASTRAZENECA UK LIMITED (GB) 2003-05-20 US disclosed
EP-1202984-B1 DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LTD (GB) 2003-03-05 EP disclosed