SCHEMBL6978231

SCHEMBL6978231

Clc1ccc(Cn2cc(CNCCN3CCOCC3)c(CN3CCC(c4ccccc4)(c4ccccc4)CC3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
APP P05067 1/20 0.40
POLB P06746 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CYP2D6 P10635 3/20 0.38
LMNA P02545 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
SLC2A1 P11166 1/20 0.37
TSHR P16473 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL6967508 0.92 DPP7 (0.41) APPCYP2D6SIGMAR1NPSR1CYP3A4
SCHEMBL6966441 0.84 OPRL1 (0.38) LMNASMN1; SMN2
SCHEMBL6966767 0.82 LSS (0.37) MEN1KMT2ACYP2D6SIGMAR1TSHR
SCHEMBL6968412 0.82 OPRL1 (0.39) LMNASIGMAR1NPSR1SMN1; SMN2
SCHEMBL6975759 0.82 KDM4E (0.38) MEN1KMT2ACYP2D6LMNATSHR
SCHEMBL6976709 0.80 CCR3 (0.45) POLBMEN1KMT2ACYP2D6LMNA
SCHEMBL6967295 0.79 CCR3 (0.42) POLBSIGMAR1ALDH1A1KDM4E
SCHEMBL6977411 0.79 CCR3 (0.41) MEN1KMT2ALMNASIGMAR1ALDH1A1
SCHEMBL6973584 0.78 SIGMAR1 (0.40) SIGMAR1ALDH1A1KDM4E
SCHEMBL6969244 0.76 CHKA (0.45) POLBSIGMAR1ALDH1A1KDM4E

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