SCHEMBL4613206

SCHEMBL4613206

CCCc1c(C(=O)NCc2c(OC)cccc2OC)n(N)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
TSHR P16473 2/20 0.40
HPGD P15428 3/20 0.40
TP53 P04637 2/20 0.40
GLA P06280 1/20 0.40
TACR1 P25103 1/20 0.39
MCL1 Q07820 1/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HCRTR1 O43613 1/20 0.38
LMNA P02545 1/20 0.38
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL4612617 0.90 MEN1 (0.52) MEN1KMT2ATSHRHPGDTP53
SCHEMBL4611362 0.83 TP53 (0.52) MEN1KMT2AHPGDTP53MAPT
SCHEMBL4610877 0.80 KMT2A (0.51) MEN1KMT2AHPGDMAPTHTT
SCHEMBL7044113 0.78 ALDH1A1 (0.52) MEN1KMT2ATSHRHPGDTP53
SCHEMBL4613210 0.77 NPSR1 (0.48) MEN1KMT2ATSHRHPGDTP53
SCHEMBL7047164 0.77 CA2 (0.52) KMT2AMAPTALDH1A1
SCHEMBL7039562 0.76 RORC (0.54) ALDH1A1
SCHEMBL6746550 0.76 NTRK1 (0.41) MEN1KMT2ATSHRHPGDTP53
SCHEMBL7046082 0.75 P2RX7 (0.44) KMT2ASMN1; SMN2KDM4E
SCHEMBL7046652 0.75 P2RX7 (0.47) MEN1KMT2ASMN1; SMN2KDM4E

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-1556034-B1 INDOLE DERIVATIVES AS BETA-2 AGONISTS PFIZER LTD (GB) 2008-04-16 EP claimed
EP-1440966-A1 Indole derivatives useful for the treatment of diseases Pfizer Limited (GB) 2004-07-28 EP claimed
US-20040116503-A1 Indole derivatives useful for the treatment of diseases PFIZER INC. 2004-06-17 US claimed
EP-1556034-B1 INDOLE DERIVATIVES AS BETA-2 AGONISTS PFIZER LTD (GB) 2008-04-16 EP disclosed
EP-1556034-A1 INDOLE DERIVATIVES AS BETA-2 AGONISTS Pfizer Limited (GB) 2005-07-27 EP disclosed
EP-1440966-A1 Indole derivatives useful for the treatment of diseases Pfizer Limited (GB) 2004-07-28 EP disclosed
WO-2004032921-A1 INDOLE DERIVATIVES AS BETA-2 AGONISTS PFIZER LIMITED (GB) 2004-04-22 WO disclosed