SCHEMBL7955486

SCHEMBL7955486

O=[N+]([O-])c1ccc2cc(C3CCNCC3)oc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.57
ACHE P22303 1/20 0.57
RAB9A P51151 1/20 0.42
GABRA1 P14867 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
ADRA2A P08913 1/20 0.40
PNMT P11086 1/20 0.40
PLG P00747 1/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
SLC6A4 P31645 1/20 0.40
CYP2C19 P33261 1/20 0.40
THPO P40225 1/20 0.40
HTR3A P46098 1/20 0.40

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
SCHEMBL7954385 0.76 RAB9A (0.62) RAB9AGABRA1GABRG2GABRB3HTR3E
SCHEMBL10898420 0.76 ACHE (0.65) BCHEACHERAB9AGABRA1GABRG2
SCHEMBL7954805 0.76 ACHE (0.65) BCHEACHEGABRA1GABRG2GABRB3
SCHEMBL10901959 0.76 ACHE (0.65) BCHEACHEGABRA1GABRG2GABRB3
SCHEMBL721717 0.73 ACHE (1.00) BCHEACHESLC6A4CHRM2CHRM4
SCHEMBL10902047 0.72 ACHE (0.60) BCHEACHERAB9AALDH1A1MEN1
SCHEMBL2874836 0.72 BCHE (0.59) BCHEACHEGABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL9937223 0.72 ACHE (0.97) BCHEACHESLC6A4CHRM2CHRM4
SCHEMBL7965539 0.71 ALDH1A1 (0.46) RAB9AGABRA1GABRG2GABRB3CHRNB4
SCHEMBL7967192 0.71 KCNH2 (0.48) ACHERAB9AGABRA1GABRG2GABRB3

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