SCHEMBL7529602

SCHEMBL7529602

[CH2]CCCCN1CCN(c2nc3cc(F)ccc3[nH]2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.42
KCNH2 Q12809 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
MPO P05164 1/20 0.39
SLC6A4 P31645 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KIT P10721 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
SCHEMBL7535651 0.96 HTR1A (0.41) HTR1AKCNH2HTR3EHTR3BHTR3A
SCHEMBL6884875 0.79 NPC1 (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7534372 0.79 BCHE (0.58) KCNH2HTR3ARAB9A
SCHEMBL7222269 0.75 HTR3A (0.63) HTR3ANPC1RAB9AHDAC6KIT
SCHEMBL2097950 0.70 DRD2 (0.61) HTR1AKCNH2SLC6A4
SCHEMBL7221794 0.70 PRCP (0.38) KCNH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL3203149 0.70 BCHE (0.57) KCNH2HTR3ARAB9A
SCHEMBL2090615 0.69 DRD2 (0.59) HTR1AKCNH2SLC6A4
SCHEMBL2090246 0.69 KCNH2 (0.56) HTR1AKCNH2
SCHEMBL14046593 0.69 NPC1 (0.70) HTR3ANPC1RAB9AHDAC6

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