SCHEMBL6969244

SCHEMBL6969244

CN1CCCN(Cc2cn(Cc3ccc(Cl)cc3)nc2CN2CCC(c3ccccc3)(c3ccccc3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHKA P35790 6/20 0.45
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA2 P00918 1/20 0.41
NCF1 P14598 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
SIGMAR1 Q99720 3/20 0.39
MC4R P32245 1/20 0.38
PARP1 P09874 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL6967295 0.93 CCR3 (0.42) KDM4EALDH1A1POLBSIGMAR1DRD2
SCHEMBL6977411 0.87 CCR3 (0.41) KDM4EALDH1A1SIGMAR1DRD2DRD4
SCHEMBL6973584 0.85 SIGMAR1 (0.40) KDM4EALDH1A1SIGMAR1DRD2DRD4
SCHEMBL6975673 0.84 CYP2D6 (0.45) KDM4EALDH1A1DRD2DRD4DRD3
SCHEMBL6976709 0.84 CCR3 (0.45) KDM4EPOLBSIGMAR1DRD2DRD4
SCHEMBL6967328 0.82 CCR3 (0.36) ALDH1A1SIGMAR1DRD2DRD4DRD3
SCHEMBL6967508 0.81 DPP7 (0.41) KDM4EALDH1A1SIGMAR1
SCHEMBL6976705 0.80 CHRM4 (0.42) ALDH1A1
SCHEMBL6968225 0.77 SMN1; SMN2 (0.42) ALDH1A1SIGMAR1DRD2DRD4DRD3
SCHEMBL6968412 0.77 OPRL1 (0.39) SIGMAR1DRD2DRD4DRD3

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