SCHEMBL7955491

SCHEMBL7955491

Ic1ccc2cc(C3CCNCC3)ncc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
IKBKB O14920 1/20 0.37
EP300 Q09472 1/20 0.36
ABL1 P00519 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
USP7 Q93009 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
HPGDS O60760 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR3A P46098 1/20 0.33
KCNH2 Q12809 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NOS1 P29475 1/20 0.33

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
SCHEMBL5241881 0.81 BCHE (0.45) L3MBTL1HRH4NR1H4MEN1KMT2A
Hydrochloric Acid SCHEMBL3880186 0.80 BCHE (0.44) L3MBTL1HRH4NR1H4MEN1KMT2A
SCHEMBL7966522 0.76 CYP3A4 (0.44) SLC6A4HTR3ARAB9ANOS1GABRA1
SCHEMBL10834084 0.76 HRH4 (0.46) L3MBTL1HRH4ABL1NR1H4MEN1
SCHEMBL7955026 0.75 MEN1 (0.42) HRH4EP300NR1H4MEN1KMT2A
SCHEMBL7967300 0.72 TLR9 (0.43) L3MBTL1HRH4SLC6A2SLC6A4GABRA1
SCHEMBL13592675 0.72 EP300 (0.43) HRH4EP300MEN1KMT2AUSP7
SCHEMBL30468937 0.70 HTR1A (0.40) HRH4MEN1KMT2ASLC6A2SLC6A4
SCHEMBL24218862 0.68 GSK3B (0.64)
SCHEMBL18319496 0.68 DYRK1A (0.51) IKBKBKCNH2

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