SCHEMBL9850407

SCHEMBL9850407

c1ccc2c(NCCNCCNc3ccnc4ccccc34)cccc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.73
ADRA1D P25100 3/20 0.73
ADRA1A P35348 3/20 0.73
ADRA1B P35368 3/20 0.73
FERMT2 Q96AC1 1/20 0.61
HRH3 Q9Y5N1 5/20 0.52
CA12 O43570 2/20 0.51
CA4 P22748 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
CA3 P07451 1/20 0.51
CA6 P23280 1/20 0.51
CA5A P35218 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
BCHE P06276 1/20 0.51
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL9850466 0.91 HTR1A (0.89) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850499 0.88 HTR1A (0.64) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850708 0.87 HTR1A (0.68) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850475 0.86 CCNC (0.62) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850457 0.86 HTR1A (0.71) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850591 0.84 HTR1A (0.71) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850606 0.84 HTR1A (0.71) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850509 0.83 HTR1A (0.66) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850459 0.82 CA12 (0.51) HTR1AADRA1DADRA1AADRA1BFERMT2
Hydrochloric Acid SCHEMBL9850536 0.82 ALDH1A1 (0.70) HTR1AADRA1DADRA1AADRA1BCA12

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-0443862-A1 Triamine derivatives and their acid-addition salts SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-08-28 EP disclosed