SCHEMBL6973419

SCHEMBL6973419

Clc1ccc(Cn2ccc(CN3CCC(c4ccccc4)(c4ccccc4)CC3)n2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.53
SIGMAR1 Q99720 2/20 0.50
CXCR3 P49682 1/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FAAH O00519 1/20 0.39
DOCK5 Q9H7D0 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPFFR1 Q9GZQ6 1/20 0.38
NPFFR2 Q9Y5X5 1/20 0.38
PGR P06401 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38

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
Hydrochloric Acid SCHEMBL6976568 0.99 OPRL1 (0.52) OPRL1SIGMAR1CXCR3POLBSMN1; SMN2
SCHEMBL6976116 0.89 CCR3 (0.46) OPRL1SIGMAR1CXCR3POLBSMN1; SMN2
SCHEMBL6976284 0.88 OPRL1 (0.48) OPRL1SIGMAR1POLBMEN1KMT2A
Hydrochloric Acid SCHEMBL6971416 0.87 CCR3 (0.45) OPRL1SIGMAR1CXCR3POLBSMN1; SMN2
SCHEMBL6969059 0.87 SIGMAR1 (0.51) OPRL1SIGMAR1POLBKDM4EL3MBTL1
SCHEMBL6970497 0.85 LMNA (0.47) OPRL1SIGMAR1CXCR3POLBSMN1; SMN2
SCHEMBL6975032 0.85 OPRD1 (0.42) OPRL1SIGMAR1CXCR3POLBKDM4E
SCHEMBL6972025 0.84 ALDH1A1 (0.42) OPRL1SIGMAR1HTT
SCHEMBL6968917 0.84 JAK2 (0.41) OPRL1POLBKDM4ETDP1FAAH
Hydrochloric Acid SCHEMBL6980309 0.84 OPRD1 (0.41) OPRL1SIGMAR1CXCR3POLBKDM4E

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