SCHEMBL7533221

SCHEMBL7533221

[CH2]CCCN1CCC(c2nc3ccccc3[nH]2)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 4/20 0.60
CHRNA7 P36544 1/20 0.53
PKM P14618 1/20 0.51
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47

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
SCHEMBL17888859 0.87 HTR2B (0.60) HTR2BCHRNA7PKMKMT2A
SCHEMBL17888861 0.84 HTR2B (0.62) HTR2BCHRNA7PKMKMT2A
SCHEMBL7531785 0.83 ALDH1A1 (0.50) HTR2BKMT2AALDH1A1TSHRNPSR1
SCHEMBL14218700 0.81 HTR2B (0.65) HTR2BCHRNA7PKMKMT2A
SCHEMBL9870915 0.81 HTR2B (0.56) HTR2BCHRNA7PKM
SCHEMBL17888844 0.81 HTR2B (0.59) HTR2BCHRNA7PKMKMT2AALDH1A1
SCHEMBL904913 0.80 CCR3 (0.56) HTR2BCHRNA7
SCHEMBL7501230 0.80 HTR2B (0.61) HTR2BCHRNA7PKMKMT2AALDH1A1
SCHEMBL19783924 0.80 HTR2B (0.55) HTR2BCHRNA7PKM
SCHEMBL6883705 0.79 PKM (0.62) HTR2BPKMKMT2A

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
EP-1222185-A1 TETRAHYDROBENZINDOLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT7 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2002-07-17 EP claimed
WO-2001029029-A1 TETRAHYDROBENZINDOLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT7 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2001-04-26 WO claimed
EP-1222185-A1 TETRAHYDROBENZINDOLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT7 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2002-07-17 EP disclosed
WO-2001029029-A1 TETRAHYDROBENZINDOLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT7 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2001-04-26 WO disclosed