SCHEMBL6966767

SCHEMBL6966767

Clc1ccc(Cn2cc(CNCc3ccncc3)c(CN3CCC(c4ccccc4)(c4ccccc4)CC3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.37
CCR3 P51677 1/20 0.36
CXCR4 P61073 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ACHE P22303 2/20 0.35
BCHE P06276 1/20 0.35
BACE1 P56817 1/20 0.35
MC4R P32245 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
VEGFA P15692 1/20 0.34

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 0.85 OPRL1 (0.39) CCR3SIGMAR1SMN1; SMN2OPRL1
SCHEMBL6967508 0.84 DPP7 (0.41) CCR3CXCR4SIGMAR1SMN1; SMN2CYP3A4
SCHEMBL6966441 0.84 OPRL1 (0.38) CCR3CXCR4MC4RSMN1; SMN2OPRL1
SCHEMBL6975759 0.83 KDM4E (0.38) CCR3CXCR4MEN1KMT2ASMN1; SMN2
SCHEMBL6976709 0.83 CCR3 (0.45) CCR3MEN1KMT2ASIGMAR1CYP3A4
SCHEMBL6967295 0.82 CCR3 (0.42) CCR3SIGMAR1OPRL1
SCHEMBL6978231 0.82 L3MBTL1 (0.40) MEN1KMT2ASIGMAR1SMN1; SMN2MAPK1
SCHEMBL6973584 0.81 SIGMAR1 (0.40) CCR3SIGMAR1
SCHEMBL6973199 0.79 CYP3A4 (0.36) LSSCCR3MEN1KMT2ASIGMAR1
SCHEMBL6968225 0.78 SMN1; SMN2 (0.42) CCR3SIGMAR1SMN1; SMN2OPRL1

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 6 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
EP-1202984-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE AstraZeneca UK Limited (GB) 2002-05-08 EP claimed
WO-2001005782-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LIMITED (GB) 2001-01-25 WO 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