SCHEMBL10893417

SCHEMBL10893417

CC(C)(COc1ccc(NN)nn1)NCC(O)COc1ccccc1C#N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.61
▸ ADRA2A P08913 1/20 0.61
▸ ADRA2B P18089 1/20 0.61
▸ MAOA P21397 1/20 0.61
▸ HTR2B P41595 1/20 0.61
▸ CYP2D6 P10635 9/20 0.55
▸ CASR P41180 5/20 0.55
▸ SLC6A2 P23975 3/20 0.55
▸ SLC6A4 P31645 3/20 0.55
▸ SLC6A3 Q01959 3/20 0.55
▸ KCNH2 Q12809 3/20 0.55
▸ ADRB2 P07550 2/20 0.55
▸ ADRB3 P13945 2/20 0.55
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ SLC22A1 O15245 1/20 0.52
▸ GRK3 P35626 1/20 0.45
▸ ADRB1 P08588 4/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CYP1A2 P05177 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
Hydrochloric Acid SCHEMBL10891439 0.99 HTR1A (0.60) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL10891179 0.91 HTR1A (0.47) HTR1AADRA2AADRA2BMAOAHTR2B
Hydrochloric Acid SCHEMBL10894595 0.90 HTR1A (0.58) HTR1AADRA2AADRA2BMAOAHTR2B
Hydrochloric Acid SCHEMBL10890862 0.90 HTR1A (0.47) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL10890331 0.88 HTR1A (0.56) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL10895740 0.88 HTR1A (0.45) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL10890332 0.88 HTR1A (0.62) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL10894630 0.88 HTR1A (0.62) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL10890896 0.87 SLC2A1 (0.45) HTR1AADRA2AADRA2BMAOAHTR2B
Hydrochloric Acid SCHEMBL10889455 0.87 SLC2A1 (0.44) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57108075-A — — None — — JP disclosed
US-4599333-A HYPOTENSIVE AGENTS TEIKOKU HORMONE MFG. CO., LTD. (JP) 1986-07-08 — — US disclosed
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
JP-S57108075-A HYDRAZINOPYRIDAZINE COMPOUND TEIKOKU HORMONE MFG CO LTD 1982-07-05 — — JP disclosed
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