SCHEMBL8654792

SCHEMBL8654792

COC(=O)c1cc2c(N3CCNCC3)cccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.51
ADRB1 P08588 3/20 0.47
HTR5A P47898 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
HTR7 P34969 2/20 0.43
CYP1A2 P05177 1/20 0.43
HTR1A P08908 1/20 0.43
CYP2D6 P10635 1/20 0.43
NCF1 P14598 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
HTR1D P28221 1/20 0.43

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
SCHEMBL7953632 0.88 HRH4 (0.54) HTR6KDM4EMEN1KMT2AHTR1A
Hydrochloric Acid SCHEMBL31414529 0.84 HTR6 (0.50) HTR6ADRB1HTR5AKDM4EHTR3E
SCHEMBL28583279 0.78 ULK1 (0.62) KDM4EMEN1KMT2AHTR3EHTR3B
SCHEMBL31414573 0.78 TMEM97 (0.47) KDM4EMEN1KMT2ASIGMAR1HTR1A
SCHEMBL4173685 0.76 HTR6 (0.56) HTR6ADRB1HTR5AKDM4EHTR3E
SCHEMBL7943312 0.75 HRH4 (0.48) KDM4EMEN1KMT2AHSD17B10HRH4
SCHEMBL6607261 0.74 HTR6 (0.50) HTR6ADRB1HTR5AKDM4EHTR3E
SCHEMBL20535848 0.74 KIF11 (0.46) KDM4EMEN1KMT2ACYP1A2HSD17B10
SCHEMBL915460 0.74 HRH4 (0.55) KDM4EMEN1KMT2ACYP1A2HSD17B10
SCHEMBL30310659 0.74 HRH4 (0.55) KDM4EMEN1KMT2ACYP1A2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0678090-B1 PIPERAZINE DERIVATIVES WYETH JOHN & BROTHER LTD (GB) 1998-10-14 EP disclosed
US-5627177-A Piperazine derivatives JOHN WYETH & BROTHER, LTD. (GB) 1997-05-06 US disclosed
EP-0678090-A1 PIPERAZINE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1995-10-25 EP disclosed
WO-1994015919-A1 PIPERAZINE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1994-07-21 WO disclosed