SCHEMBL7954385

SCHEMBL7954385

O=[N+]([O-])c1ccc2nc(C3CCNCC3)oc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.62
MAPT P10636 4/20 0.49
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 3/20 0.46
BLM P54132 1/20 0.46
MPO P05164 1/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
SLC6A4 P31645 1/20 0.43
CYP2C19 P33261 1/20 0.43
THPO P40225 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43

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
SCHEMBL30097124 0.88 RAB9A (0.78) RAB9AMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL31344832 0.86 RAB9A (0.63) RAB9AMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL20134872 0.77 MPO (0.49) RAB9AMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL374150 0.77 SOS1 (0.51) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL2859330 0.77 MPO (0.67) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL23411619 0.77 MPO (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1MPO
SCHEMBL14157509 0.77 MPO (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1MPO
SCHEMBL7964498 0.77 MPO (0.49) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL2243120 0.76 RAB9A (1.00) RAB9AMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL7955486 0.76 BCHE (0.57) RAB9AMAPTKMT2AALDH1A1MEN1

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