SCHEMBL7966906

SCHEMBL7966906

O=[N+]([O-])c1ccc2c(C3CCNCC3)n[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
HPGD P15428 1/20 0.42
DAO P14920 1/20 0.41
CYP3A4 P08684 3/20 0.40
NOS1 P29475 2/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
PARP1 P09874 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
MAP2K7 O14733 1/20 0.39
NAMPT P43490 1/20 0.38
XDH P47989 1/20 0.38
POLB P06746 1/20 0.38
MAOB P27338 1/20 0.38
RIPK1 Q13546 1/20 0.38
GRIA1 P42261 1/20 0.37

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
SCHEMBL21768219 0.92 MAPT (0.46) MAPTHPGDDAOCYP3A4NOS1
SCHEMBL31423150 0.81 MAPT (0.56) MAPTHPGDCYP3A4NOS1LMNA
SCHEMBL30833708 0.77 MAPT (0.38) MAPTHPGDDAOCYP3A4NOS1
SCHEMBL29190560 0.77 MAPT (0.38) MAPTHPGDDAOCYP3A4NOS1
SCHEMBL1545411 0.76 HTR2A (0.47) MAP2K7SLC6A4
SCHEMBL10395746 0.76 PDPK1 (0.50) SLC6A4
SCHEMBL29688637 0.76 HTR2A (0.47) MAP2K7SLC6A4
SCHEMBL9831569 0.76 MAPK1 (0.47) MAOBSLC6A4HTR3A
SCHEMBL7963908 0.75 CRHBP (0.39) MAPTHPGDCYP3A4LMNAPARP1
SCHEMBL7967192 0.75 KCNH2 (0.48) MAPTLMNAGABRA1GABRG2GABRB3

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