SCHEMBL6972327

SCHEMBL6972327

Clc1ccc(Cn2ccc(CN3CCC(c4ccccc4)(c4ccccc4)CC3)n2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.49
C5AR1 P21730 2/20 0.48
CXCR3 P49682 1/20 0.43
IP6K1 Q92551 3/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
CYP2A13 Q16696 1/20 0.41
EPHX2 P34913 2/20 0.41
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RORC P51449 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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 SCHEMBL6972316 0.99 SIGMAR1 (0.48) SIGMAR1C5AR1CXCR3IP6K1BCHE
SCHEMBL6969273 0.89 ALDH1A1 (0.39) SIGMAR1C5AR1CXCR3IP6K1KDM4E
Hydrochloric Acid SCHEMBL6980562 0.89 ALDH1A1 (0.39) SIGMAR1C5AR1CXCR3IP6K1KDM4E
SCHEMBL6977878 0.87 KDM4E (0.40) C5AR1KDM4EMAPTALDH1A1MEN1
Hydrochloric Acid SCHEMBL6969218 0.86 KDM4E (0.39) SIGMAR1C5AR1KDM4EMAPTALDH1A1
SCHEMBL6976116 0.85 CCR3 (0.46) SIGMAR1CXCR3ALDH1A1POLBMEN1
Hydrochloric Acid SCHEMBL6971416 0.84 CCR3 (0.45) SIGMAR1CXCR3ALDH1A1POLBMEN1
SCHEMBL6969059 0.83 SIGMAR1 (0.51) SIGMAR1KDM4EMAPTALDH1A1POLB
SCHEMBL6965169 0.83 MGLL (0.45)
SCHEMBL6976284 0.82 OPRL1 (0.48) SIGMAR1ALDH1A1POLBMEN1KMT2A

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