SCHEMBL6969059

SCHEMBL6969059

Clc1cccc(Cn2ccc(CN3CCC(c4ccccc4)(c4ccccc4)CC3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.51
CHRM2 P08172 2/20 0.45
CHRM3 P20309 2/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ATM Q13315 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CACNA1G O43497 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1C Q13936 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
DRD2 P14416 2/20 0.42
OPRL1 P41146 1/20 0.40
CCR3 P51677 1/20 0.40
POLB P06746 1/20 0.40
DRD4 P21917 1/20 0.39

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
SCHEMBL6976284 0.91 OPRL1 (0.48) SIGMAR1ALDH1A1GAADRD2OPRL1
SCHEMBL6976116 0.89 CCR3 (0.46) SIGMAR1ALDH1A1CACNA1GCACNA1HCACNA1I
Hydrochloric Acid SCHEMBL6971416 0.87 CCR3 (0.45) SIGMAR1ALDH1A1CACNA1GCACNA1HCACNA1I
SCHEMBL6973419 0.87 OPRL1 (0.53) SIGMAR1KDM4EMAPTHTTL3MBTL1
Hydrochloric Acid SCHEMBL6976568 0.86 OPRL1 (0.52) SIGMAR1KDM4EL3MBTL1OPRL1POLB
SCHEMBL6972025 0.84 ALDH1A1 (0.42) SIGMAR1ALDH1A1HTTCACNA1GCACNA1H
Hydrochloric Acid SCHEMBL6976215 0.83 ALDH1A1 (0.41) SIGMAR1ALDH1A1HTTCACNA1GCACNA1H
SCHEMBL6972327 0.83 SIGMAR1 (0.49) SIGMAR1KDM4EALDH1A1MAPTPOLB
SCHEMBL6970497 0.83 LMNA (0.47) SIGMAR1KDM4EALDH1A1MAPTHTT
SCHEMBL6975032 0.83 OPRD1 (0.42) SIGMAR1KDM4EALDH1A1MAPTDRD2

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