SCHEMBL8530490

SCHEMBL8530490

[CH2]c1cc(-n2nnnc2C)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
TACR1 P25103 2/20 0.42
LMNA P02545 5/20 0.41
GAA P10253 1/20 0.39
TSHR P16473 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GALR3 O60755 1/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ATM Q13315 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
KCNN4 O15554 2/20 0.37
S1PR4 O95977 1/20 0.37
HPGD P15428 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
SCHEMBL8533910 0.82 TSHR (0.56) TACR1LMNATSHRRAB9AALDH1A1
SCHEMBL8530555 0.80 TACR1 (0.46) TACR1ALDH1A1MAPTHPGD
SCHEMBL4205532 0.78 ATM (0.45) NOTUMCA12CA9TACR1LMNA
SCHEMBL4201299 0.75 ALDH1A1 (0.52) NOTUMCA12CA9TACR1LMNA
SCHEMBL8540447 0.74 TACR1 (0.42) NOTUMCA12CA9TACR1LMNA
SCHEMBL24240345 0.74 LMNA (0.62) NOTUMCA12CA9LMNATSHR
SCHEMBL9435026 0.74 MAPT (0.50) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL4209233 0.74 LMNA (0.59) LMNATSHRRAB9AALDH1A1HTT
SCHEMBL4213757 0.73 ALDH1A1 (0.64) NOTUMLMNATSHRRAB9AALDH1A1
SCHEMBL15786417 0.72 KMT2A (0.55) LMNAGAATSHRRAB9AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843966-A Piperidine derivatives GLAXO GROUP LIMITED (GB) 1998-12-01 US disclosed
US-5703240-A ANALGESICS; ANTIINFLAMMATORY AGENTS; NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 1997-12-30 US disclosed