SCHEMBL9850448

SCHEMBL9850448

COc1cccnc1NCCNCCNc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.53
HTR1A P08908 2/20 0.53
ADRA1D P25100 2/20 0.53
ADRA1B P35368 2/20 0.53
KDM1A O60341 2/20 0.48
EHMT2 Q96KQ7 2/20 0.48
RCOR1 Q9UKL0 2/20 0.48
BCHE P06276 1/20 0.44
CA12 O43570 2/20 0.44
CA4 P22748 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
CHRM2 P08172 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 4/20 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
SCHEMBL9850403 0.86 MEN1 (0.57) ADRA1AHTR1AADRA1DADRA1BSMN1; SMN2
SCHEMBL9850473 0.84 CHRM2 (0.59) ADRA1AHTR1AADRA1DADRA1BKDM1A
SCHEMBL9850451 0.84 ALDH1A1 (0.56) ADRA1AHTR1AADRA1DADRA1BKDM1A
SCHEMBL9850557 0.83 KDM1A (0.48) ADRA1AHTR1AADRA1DADRA1BKDM1A
SCHEMBL9850716 0.81 BCHE (0.47) ADRA1AHTR1AADRA1DADRA1BBCHE
SCHEMBL9850459 0.80 CA12 (0.51) ADRA1AHTR1AADRA1DADRA1BBCHE
SCHEMBL9850416 0.79 MEN1 (0.59) ADRA1AHTR1AADRA1DADRA1BCHRM2
SCHEMBL9850379 0.78 NPC1 (0.46) ADRA1AHTR1AADRA1DADRA1BBCHE
SCHEMBL9850421 0.78 HSP90AA1 (0.65) HTR1ACHRM2SMN1; SMN2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL9850592 0.76 BCHE (0.52) ADRA1AHTR1AADRA1DADRA1BBCHE

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