SCHEMBL6966441

SCHEMBL6966441

O=C(O)CCNCc1cn(Cc2ccc(Cl)cc2)nc1CN1CCC(c2ccccc2)(c2ccccc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.38
CCR3 P51677 1/20 0.38
SSTR5 P35346 2/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
ADAMTS4 O75173 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
ADAM17 P78536 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
MC4R P32245 1/20 0.36
CHRM4 P08173 1/20 0.36
ADRA1A P35348 2/20 0.36

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
SCHEMBL6968412 0.93 OPRL1 (0.39) OPRL1CCR3SSTR5DRD2DRD4
SCHEMBL6967508 0.86 DPP7 (0.41) CCR3ADRA1AADRA2AADRA2BADRA2C
SCHEMBL6978231 0.84 L3MBTL1 (0.40) LMNASMN1; SMN2
SCHEMBL6976709 0.84 CCR3 (0.45) OPRL1CCR3SSTR5DRD2DRD4
SCHEMBL6966767 0.84 LSS (0.37) OPRL1CCR3MC4RCXCR4SMN1; SMN2
SCHEMBL6975759 0.83 KDM4E (0.38) CCR3CXCR4LMNARAB9ASMN1; SMN2
SCHEMBL6973584 0.81 SIGMAR1 (0.40) CCR3SSTR5DRD2DRD4DRD3
SCHEMBL6967295 0.81 CCR3 (0.42) OPRL1CCR3SSTR5DRD2DRD4
SCHEMBL6975673 0.80 CYP2D6 (0.45) CCR3DRD2DRD4DRD3FAAH
SCHEMBL6968225 0.79 SMN1; SMN2 (0.42) OPRL1CCR3SSTR5DRD2DRD4

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