SCHEMBL11111388

SCHEMBL11111388

Cc1ccc(C#N)c(OCC(O)CNC(C)(C)COc2cnc(NN)cn2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ ADRA2B P18089 1/20 0.45
▸ MAOA P21397 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ CYP2D6 P10635 11/20 0.43
▸ CASR P41180 10/20 0.43
▸ SLC6A2 P23975 5/20 0.43
▸ SLC6A4 P31645 5/20 0.43
▸ SLC6A3 Q01959 5/20 0.43
▸ KCNH2 Q12809 5/20 0.43
▸ ADRB2 P07550 3/20 0.42
▸ ADRB3 P13945 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ SLC22A1 O15245 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GRK3 P35626 1/20 0.39

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
Hydrochloric Acid SCHEMBL10890839 0.99 HTR1A (0.44) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL10895740 0.89 HTR1A (0.45) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL10893347 0.82 HTR1A (0.46) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL10897446 0.80 HTR1A (0.42) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL10890896 0.79 SLC2A1 (0.45) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL11743303 0.79 HTR1A (0.57) HTR1AADRA2AADRA2BMAOAHTR2B
Hydrochloric Acid SCHEMBL10889455 0.78 SLC2A1 (0.44) HTR1AADRA2AADRA2BMAOAHTR2B
Hydrochloric Acid SCHEMBL10892320 0.77 ACHE (0.45) CYP2D6ADRB2MEN1KMT2AL3MBTL1
SCHEMBL10893417 0.76 HTR1A (0.61) HTR1AADRA2AADRA2BMAOAHTR2B
Hydrochloric Acid SCHEMBL10891439 0.76 HTR1A (0.60) HTR1AADRA2AADRA2BMAOAHTR2B

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-0097202-A1 Hydrazinopyridazine compound, process for production thereof, and use thereof as medicament TEIKOKU HORMONE MFG. CO., LTD. (JP) 1984-01-04 — — EP disclosed
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