SCHEMBL9370598

SCHEMBL9370598

CCC[N+](C)(C)c1cccnc1N(C)C1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.47
SYK P43405 2/20 0.44
AKR1C3 P42330 6/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38

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
SCHEMBL9370175 0.85 HRH4 (0.50) HRH4SYKAKR1C3RAB9ANPC1
SCHEMBL9369912 0.83 HRH4 (0.53) HRH4SYKMEN1KMT2ADRD2
SCHEMBL8794793 0.81 HRH4 (0.46) HRH4SYKAKR1C3RAB9ANPC1
SCHEMBL8794398 0.81 ADRA2A (0.51) HRH4SYKAKR1C3RAB9ANPC1
SCHEMBL9370616 0.72 HRH4 (0.55) HRH4SYKMEN1KMT2ADRD2
SCHEMBL8792157 0.71 NMT1 (0.35) DRD2DRD3
SCHEMBL9370906 0.70 HRH4 (0.56) HRH4SYKMEN1KMT2ADRD2
SCHEMBL8794312 0.70 HRH4 (0.49) HRH4SYKAKR1C3RAB9ANPC1
SCHEMBL9370464 0.69 ADRA2A (0.68) SYK
SCHEMBL8794886 0.69 ADRA2A (0.55) SYK

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
EP-0594702-A1 SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS. UPJOHN CO (US) 1994-05-04 EP disclosed