SCHEMBL5897129

SCHEMBL5897129

CN1CCN(c2c[c]cc(N3CCOCC3)n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 5/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ KMT2A Q03164 2/20 0.42
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ HTR3E A5X5Y0 4/20 0.41
▸ HTR3B O95264 4/20 0.41
▸ HTR3A P46098 4/20 0.41
▸ HTR3D Q70Z44 4/20 0.41
▸ HTR3C Q8WXA8 4/20 0.41
▸ HRH3 Q9Y5N1 3/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ ATR Q13535 1/20 0.39
▸ ATRIP Q8WXE1 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ HTR2C P28335 1/20 0.39

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
SCHEMBL5897044 0.94 HRH4 (0.50) HRH4NPSR1KMT2ACRHBPCRHR2
SCHEMBL5896965 0.82 HRH3 (0.43) HRH4NPSR1KMT2ACRHBPCRHR2
SCHEMBL4781313 0.81 KMT2A (0.51) HRH4NPSR1KMT2ACRHBPCRHR2
SCHEMBL13929505 0.79 HRH4 (0.68) HRH4NPSR1KMT2ACRHBPCRHR2
SCHEMBL3634900 0.78 HRH4 (0.61) HRH4NPSR1KMT2ACRHBPCRHR2
SCHEMBL7676555 0.77 CYP1A2 (0.50) KMT2ACRHBPCRHR2CYP1A2
SCHEMBL2166591 0.75 HRH4 (0.73) HRH4NPSR1CRHBPCRHR2HRH3
SCHEMBL1774531 0.74 CYP2C19 (0.61) HRH4NPSR1HRH3KDM4EALDH1A1
SCHEMBL14922321 0.71 ALDH1A1 (0.63) HRH4NPSR1KMT2AHTR3AKDM4E
SCHEMBL7678947 0.70 NPSR1 (0.43) HRH4NPSR1KMT2ACRHBPCRHR2

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-7060700-B2 Amide derivatives useful as inhibitors of the production of cytokines ASTRAZENECA AB (SE) 2006-06-13 — — US disclosed
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