SCHEMBL7955026

SCHEMBL7955026

Ic1ccc2ccc(C3CCNCC3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
USP7 Q93009 2/20 0.38
TLR9 Q9NR96 2/20 0.36
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
SLC18A3 Q16572 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MKNK1 Q9BUB5 2/20 0.34
MKNK2 Q9HBH9 2/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
IDO1 P14902 1/20 0.33
QDPR P09417 1/20 0.33
HTR2C P28335 2/20 0.33
EP300 Q09472 1/20 0.32

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
SCHEMBL19411398 0.81 BACE1 (0.43) MEN1KMT2AHRH4NPC1RAB9A
SCHEMBL21000902 0.78 MEN1 (0.57) MEN1KMT2AHRH4NPC1RAB9A
SCHEMBL29733200 0.78 MEN1 (0.57) MEN1KMT2AHRH4NPC1RAB9A
SCHEMBL7955491 0.75 L3MBTL1 (0.40) MEN1KMT2AHRH4NPC1RAB9A
SCHEMBL7965539 0.75 ALDH1A1 (0.46) RAB9AHTR3EHTR3BHTR3AHTR3D
SCHEMBL27146850 0.73 BACE1 (0.45) MEN1KMT2AHRH4NPC1RAB9A
SCHEMBL30718696 0.73 BACE1 (0.45) MEN1KMT2AHRH4NPC1RAB9A
SCHEMBL7968684 0.72 PARP1 (0.43) NPC1RAB9ATLR9TLR8TLR7
SCHEMBL17555366 0.71 HTR3E (0.50) HRH4SIGMAR1HTR2CHTR3EHTR3B
SCHEMBL7956092 0.71 MEN1 (0.64) MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6303627-B1 FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
WO-1999065487-A1 INHIBITORS OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1999-12-23 WO disclosed
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 EP disclosed