SCHEMBL6607018

SCHEMBL6607018

CC(C)c1cc2c(N3CCNCC3)cccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.53
ADRB1 P08588 5/20 0.52
HTR5A P47898 2/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
CYP1A2 P05177 1/20 0.49
HTR1A P08908 1/20 0.49
CYP2D6 P10635 1/20 0.49
NCF1 P14598 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR2A P28223 1/20 0.49
HTR7 P34969 1/20 0.49
MTOR P42345 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL4173685 0.81 HTR6 (0.56) HTR6ADRB1HTR5AHTR3EHTR3B
SCHEMBL6609224 0.77 HTR6 (0.53) HTR6ADRB1HTR5AHTR3EHTR3B
SCHEMBL14286536 0.77 LMNA (0.47) HTR6CYP1A2CYP2D6SIGMAR1LMNA
SCHEMBL30516390 0.74 ADRB1 (0.56) HTR6ADRB1HTR5AHTR3EHTR3B
SCHEMBL21291592 0.74 ADRB1 (0.56) HTR6ADRB1HTR5AHTR3EHTR3B
SCHEMBL6607261 0.74 HTR6 (0.50) HTR6ADRB1HTR5AHTR3EHTR3B
SCHEMBL14286567 0.73 CXCR4 (0.43) HTR6KDM4ELMNA
SCHEMBL16019507 0.73 HTR6 (0.58) HTR6ADRB1HTR5AHTR3EHTR3B
SCHEMBL8654792 0.72 HTR6 (0.51) HTR6ADRB1HTR5AHTR3EHTR3B
SCHEMBL1442519 0.72 HTR6 (0.60) HTR6ADRB1HTR5AHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432701-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2004-06-30 EP disclosed
WO-2003031436-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. (CH) 2003-04-17 WO disclosed