SCHEMBL9303457

SCHEMBL9303457

NCCc1cn(C(=O)CCc2ccccc2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.53
HTR2A P28223 1/20 0.49
HTR6 P50406 8/20 0.48
F2 P00734 1/20 0.46
MAPK1 P28482 1/20 0.46
CREBBP Q92793 1/20 0.45
BRD9 Q9H8M2 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SCN9A Q15858 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL2824959 0.86 OXER1 (0.58) OXER1HTR2AHTR6MAPK1SCN9A
SCHEMBL30936110 0.83 HTR6 (0.60) OXER1HTR6
SCHEMBL5304010 0.83 HTR2A (0.57) OXER1HTR2AHTR6SCN9A
SCHEMBL1068278 0.83 OXER1 (0.68) OXER1HTR2AHTR6BCHE
SCHEMBL6425323 0.82 HTR2A (0.53) OXER1HTR2AHTR6SCN9A
SCHEMBL27487257 0.82 HTR2A (0.53) OXER1HTR2AHTR6KMT2ASCN9A
SCHEMBL7585800 0.82 HTR2A (0.53) OXER1HTR2AHTR6LMNASMN1; SMN2
SCHEMBL6426061 0.82 HTR2A (0.53) OXER1HTR2AHTR6LMNASMN1; SMN2
SCHEMBL27721427 0.81 HTR2A (0.58) OXER1HTR2AHTR6SCN9A
SCHEMBL22411434 0.81 OXER1 (0.72) OXER1HTR2AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5283343-A Melatonin antagonists WHITBY RESEARCH, INC. (US) 1994-02-01 US disclosed