SCHEMBL6968917

SCHEMBL6968917

Cc1ccc(Cn2ccc(CN3CCC(c4ccccc4)(c4ccccc4)CC3)n2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
FAAH O00519 1/20 0.39
OPRL1 P41146 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
DRD4 P21917 2/20 0.35
HTR7 P34969 1/20 0.35
KMT2A Q03164 2/20 0.35
OPRD1 P41143 3/20 0.35
OPRK1 P41145 2/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
OPRM1 P35372 1/20 0.35
GRIN1 Q05586 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRIN2A Q12879 1/20 0.35

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
SCHEMBL6970497 0.87 LMNA (0.47) JAK2JAK1OPRL1ALDH1A1TDP1
Hydrochloric Acid SCHEMBL6981064 0.86 POLB (0.46) JAK2JAK1OPRL1ALDH1A1TDP1
SCHEMBL6976284 0.86 OPRL1 (0.48) OPRL1ALDH1A1KMT2AOPRD1OPRK1
SCHEMBL6973419 0.84 OPRL1 (0.53) FAAHOPRL1TDP1KMT2APOLB
SCHEMBL6972025 0.84 ALDH1A1 (0.42) OPRL1ALDH1A1DRD4HTT
SCHEMBL6976116 0.84 CCR3 (0.46) OPRL1ALDH1A1DRD4KMT2AOPRM1
Hydrochloric Acid SCHEMBL6976215 0.83 ALDH1A1 (0.41) OPRL1ALDH1A1DRD4POLBHTT
Hydrochloric Acid SCHEMBL6976568 0.83 OPRL1 (0.52) FAAHOPRL1TDP1KMT2APOLB
SCHEMBL6975032 0.83 OPRD1 (0.42) OPRL1ALDH1A1KMT2AOPRD1OPRK1
Hydrochloric Acid SCHEMBL6971416 0.83 CCR3 (0.45) OPRL1ALDH1A1DRD4KMT2AOPRM1

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