SCHEMBL5897044

SCHEMBL5897044

CN1CCCN(c2c[c]cc(N3CCOCC3)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 5/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ ROCK2 O75116 1/20 0.46
▸ ROCK1 Q13464 1/20 0.46
▸ NCF1 P14598 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ CHKA P35790 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ HTR3D Q70Z44 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
SCHEMBL5897129 0.94 HRH4 (0.55) HRH4NPSR1KMT2AKDM4ECRHBP
SCHEMBL5896965 0.77 HRH3 (0.43) HRH4NPSR1KMT2AKDM4EHSD17B10
SCHEMBL4781313 0.76 KMT2A (0.51) HRH4NPSR1KMT2AKDM4EHSD17B10
SCHEMBL20907277 0.75 CHKA (0.62) ROCK2ROCK1NCF1KMT2AKDM4E
SCHEMBL13929505 0.74 HRH4 (0.68) HRH4NPSR1KMT2AKDM4ECRHBP
SCHEMBL3634900 0.73 HRH4 (0.61) HRH4NPSR1KMT2ACRHBPCRHR2
SCHEMBL7676555 0.72 CYP1A2 (0.50) KMT2ACRHBPCRHR2
SCHEMBL2166591 0.70 HRH4 (0.73) HRH4NPSR1CRHBPCRHR2
SCHEMBL1774531 0.69 CYP2C19 (0.61) HRH4NPSR1KDM4EHSD17B10ALDH1A1
SCHEMBL2321570 0.69 ROCK2 (0.63) HRH4NPSR1ROCK2ROCK1ALDH1A1

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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