SCHEMBL6978119

SCHEMBL6978119

O=C(NCc1ccccn1)c1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
ACKR3 P25106 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRM1 P35372 1/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
OPRL1 P41146 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
SCHEMBL6965167 0.92 FPR3 (0.45) ALDH1A1MAPTSMN1; SMN2HPGDKMT2A
SCHEMBL6978244 0.87 HTT (0.44) ALDH1A1MAPTACKR3SMN1; SMN2HPGD
SCHEMBL6974540 0.86 OPRD1 (0.40) OPRD1OPRK1OPRL1
SCHEMBL6979779 0.86 ADRA1A (0.41) OPRD1OPRK1OPRL1
SCHEMBL6979637 0.86 ALDH1A1 (0.40) ALDH1A1MAPTACKR3SMN1; SMN2KMT2A
SCHEMBL6967490 0.85 OPRD1 (0.41) OPRD1OPRK1OPRM1OPRL1
SCHEMBL6974750 0.84 OPRD1 (0.40) OPRD1OPRK1OPRM1OPRL1
SCHEMBL6975845 0.84 ADRA1A (0.42) OPRD1OPRK1EGLN1OPRL1
SCHEMBL6981273 0.84 OPRD1 (0.40) ALDH1A1OPRD1OPRK1OPRL1
SCHEMBL6974465 0.84 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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