SCHEMBL7141253

SCHEMBL7141253

Fc1ccc2c(c1)CCn1ncnc1C2=C1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.38
HRH1 P35367 4/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
ADRB2 P07550 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
ABCB1 P08183 1/20 0.37
HTR1A P08908 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CHRM3 P20309 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 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
SCHEMBL7136262 0.87 PTAFR (0.43) PTAFRHRH1HTR2CHTR2BCHRM2
SCHEMBL7138938 0.79 HRH1 (0.42) PTAFRHRH1HTR2CHTR2BMEN1
SCHEMBL7141837 0.78 HRH1 (0.50) PTAFRHRH1HTR2BMEN1LMNA
SCHEMBL7136428 0.77 GABRG2 (0.38) PTAFRHTR2CHTR2BDRD2HTR2A
Water SCHEMBL7140424 0.77 PTAFR (0.40) PTAFRHRH1HTR2CHTR2BDRD2
SCHEMBL7139726 0.76 HRH1 (0.38) PTAFRHRH1HTR2CHTR2BABCB1
SCHEMBL7140680 0.75 PTAFR (0.40) PTAFRHRH1DRD2DRD4DRD3
SCHEMBL7166986 0.74 HRH1 (0.47) HRH1MEN1KMT2AKCNH2
SCHEMBL9284701 0.74 SIGMAR1 (0.42) HRH1MEN1ABCB1HTR1ASLC6A4
SCHEMBL8208376 0.73 HRH1 (0.37) HRH1HTR2CLMNAHRH4

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
EP-0675887-B1 ANTIALLERGIC TRIAZOLOBENZAZEPINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-04-02 EP disclosed