SCHEMBL8447358

SCHEMBL8447358

O=C(O)N(Cc1ccccc1)Cc1c(N2CCNCC2)cccc1N1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.47
HTR1A P08908 5/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
HTR2A P28223 3/20 0.43
HTR7 P34969 2/20 0.43
HTR5A P47898 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
CYP1A2 P05177 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
HTR1B P28222 1/20 0.43
MTOR P42345 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 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
SCHEMBL14355993 0.78 HTR6 (0.47) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL673623 0.73 LMNA (0.61) TSHRKDM4EALDH1A1LMNA
SCHEMBL672047 0.73 LMNA (0.61) TSHRKDM4EALDH1A1LMNA
SCHEMBL9272779 0.73 HTR6 (0.52) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL825414 0.72 LMNA (0.63) TSHRKDM4EALDH1A1LMNA
SCHEMBL7337536 0.71 NPC1 (0.47) TSHRSIGMAR1
SCHEMBL30872535 0.70 ALDH1A1 (0.57) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL8718249 0.70 LMNA (0.61) TSHRKDM4EALDH1A1LMNA
SCHEMBL638764 0.70 LMNA (0.61) TSHRKDM4EALDH1A1LMNA
SCHEMBL149160 0.70 LMNA (0.61) TSHRKDM4EALDH1A1LMNA

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
WO-1999000669-A1 NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION ISIS PHARMACEUTICALS, INC. (US) 1999-01-07 WO disclosed