SCHEMBL6976853

SCHEMBL6976853

FC(F)(F)c1ccc(Cn2ccc(CN3CCC(c4ccccc4)(c4ccccc4)CC3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
FAAH O00519 1/20 0.39
KCNH2 Q12809 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TACR1 P25103 3/20 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
Hydrochloric Acid SCHEMBL6970037 0.99 OPRL1 (0.47) OPRL1POLBGAAHDAC1HDAC7
SCHEMBL6976284 0.88 OPRL1 (0.48) OPRL1POLBGAAHDAC1ALDH1A1
SCHEMBL6975032 0.87 OPRD1 (0.42) OPRL1POLBHDAC1HDAC7KDM4E
Hydrochloric Acid SCHEMBL6980309 0.86 OPRD1 (0.41) OPRL1POLBHDAC1HDAC7KDM4E
SCHEMBL6976116 0.86 CCR3 (0.46) OPRL1POLBALDH1A1OPRM1SIGMAR1
SCHEMBL6970497 0.85 LMNA (0.47) OPRL1POLBHDAC1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6971416 0.85 CCR3 (0.45) OPRL1POLBALDH1A1OPRM1SIGMAR1
Hydrochloric Acid SCHEMBL6981064 0.84 POLB (0.46) OPRL1POLBHDAC1KDM4EALDH1A1
SCHEMBL6973419 0.82 OPRL1 (0.53) OPRL1POLBKDM4EFAAHSIGMAR1
SCHEMBL6972025 0.82 ALDH1A1 (0.42) OPRL1ALDH1A1SIGMAR1DRD4

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