SCHEMBL6978244

SCHEMBL6978244

O=C(NCc1cccnc1)c1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 2/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
DHODH Q02127 1/20 0.42
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.42
ACKR3 P25106 1/20 0.42
ABCB1 P08183 1/20 0.42
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TRPA1 O75762 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6978119 0.87 ALDH1A1 (0.43) HTTSMN1; SMN2KMT2ALMNAALDH1A1
SCHEMBL6966745 0.86 HTT (0.41) HTTSMN1; SMN2KMT2ALMNAALDH1A1
SCHEMBL6979779 0.85 ADRA1A (0.41)
SCHEMBL6974540 0.85 OPRD1 (0.40)
SCHEMBL6967490 0.83 OPRD1 (0.41)
SCHEMBL6975845 0.83 ADRA1A (0.42)
SCHEMBL6974750 0.83 OPRD1 (0.40)
SCHEMBL6974465 0.82 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1NPSR1
SCHEMBL6981273 0.82 OPRD1 (0.40) ALDH1A1
SCHEMBL6975294 0.82 ADRA1A (0.47) KMT2AHPGDPOLB

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