SCHEMBL3870566

SCHEMBL3870566

CN1CC[N]C(c2ccccc2C#N)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.40
PROKR1 Q8TCW9 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.33
RIPK1 Q13546 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
PGR P06401 3/20 0.33
AR P10275 2/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
DRD4 P21917 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL2203029 0.73 SLC6A2 (0.41) KDM4EALDH1A1CYP1A2TSHR
SCHEMBL10077963 0.70 DRD4 (0.48) ADRA1APROKR1SIGMAR1DRD4
SCHEMBL2199708 0.70 HTR2C (0.41) ADRA1ATSHRRIPK1DRD2DRD3
SCHEMBL6648965 0.65 CYP1A2 (0.38) CYP1A2
SCHEMBL5983948 0.65 SLC6A3 (0.37)
SCHEMBL10999017 0.65 HRH3 (0.44) KDM4EALDH1A1CYP1A2CYP3A4HRH4
SCHEMBL23323166 0.65 CHRNB2 (0.53) DRD2
SCHEMBL11571755 0.64 TSHR (0.42) ADRA1AKDM4EALDH1A1TSHRRIPK1
SCHEMBL5139019 0.64 USP30 (0.46) KDM4EALDH1A1DRD2DRD3
SCHEMBL6155692 0.63 HRH4 (0.42) HRH4

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-7473695-B2 4-imidazolin-2-one compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-06 US disclosed