SCHEMBL7955827

SCHEMBL7955827

O=C(NCCc1ccccn1)c1c[c]ccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.56
NPC1 O15118 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GAA P10253 1/20 0.52
KMT2A Q03164 3/20 0.50
NAMPT P43490 2/20 0.50
MEN1 O00255 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.49
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPK1 P28482 1/20 0.47
CNR1 P21554 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL7953774 0.86 POLB (0.60) RAB9ANPC1SMN1; SMN2GAAKMT2A
SCHEMBL3039047 0.85 RAB9A (0.62) RAB9ANPC1SMN1; SMN2GAAKMT2A
SCHEMBL483578 0.84 RAB9A (0.74) RAB9ANPC1SMN1; SMN2GAAKMT2A
SCHEMBL4626846 0.84 RAB9A (0.55) RAB9ANPC1SMN1; SMN2GAAKMT2A
SCHEMBL7958940 0.80 SMN1; SMN2 (0.58) RAB9ANPC1SMN1; SMN2GAAKMT2A
SCHEMBL6500425 0.77 RAB9A (0.65) RAB9ANPC1SMN1; SMN2GAAKMT2A
SCHEMBL11666172 0.77 CNR1 (0.67) RAB9ANPC1SMN1; SMN2GAAKMT2A
SCHEMBL1394203 0.77 RAB9A (0.74) RAB9ANPC1SMN1; SMN2GAAKMT2A
SCHEMBL13947349 0.77 RAB9A (0.65) RAB9ANPC1SMN1; SMN2GAAKMT2A
SCHEMBL3775207 0.76 RAB9A (0.63) RAB9ANPC1SMN1; SMN2GAAKMT2A

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-6235758-B1 CENTRAL NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-22 US disclosed
EP-0808312-B1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 2000-11-02 EP disclosed
US-5990133-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS ANXIETY OR DEPRESSION SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed