SCHEMBL11096469

SCHEMBL11096469

O=C(c1ccccc1Cc1ncc[nH]1)c1ccccc1Cc1ncc[nH]1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.55
▸ ADRA2B P18089 1/20 0.55
▸ ADRA2C P18825 1/20 0.55
▸ TAAR1 Q96RJ0 8/20 0.54
▸ HTR1A P08908 1/20 0.54
▸ KMT2A Q03164 2/20 0.45
▸ GAA P10253 3/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CSNK1A1 P48729 1/20 0.42
▸ TYRO3 Q06418 1/20 0.42
▸ DYRK1B Q9Y463 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL28103549 0.82 ADRA2A (0.69) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL8051573 0.78 ADRA2A (0.59) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL14856666 0.78 TAAR1 (0.58) ADRA2AADRA2BADRA2CTAAR1HTR1A
Hydrochloric Acid SCHEMBL29751822 0.77 ADRA2A (0.62) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL10848795 0.75 L3MBTL1 (0.51) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL4018722 0.75 TAAR1 (0.67) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL11568003 0.75 ADRA2A (0.59) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL1509682 0.75 TAAR1 (0.67) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL6112047 0.75 ADRA2A (0.59) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL2775376 0.75 ADRA2A (0.64) ADRA2AADRA2BADRA2CTAAR1HTR1A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0005250-B1 HYDROXYPROPYL IMIDAZOLES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM BAYER AG (DE) 1981-08-12 — — EP claimed
EP-0029542-B1 HYDROXYBUTYL-IMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, INTERMEDIATES NECESSARY FOR THE LATTER AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1984-07-18 — — EP disclosed
EP-0019190-B1 USE OF HYDROXYALKYL-IMIDAZOLES AS FUNGICIDES BAYER AG (DE) 1983-03-30 — — EP disclosed
EP-0031883-B1 ANTIMICROBIAL AGENT CONTAINING HYDROXY BUTYLIMIDAZOLE DERIVATIVES BAYER AG (DE) 1983-03-02 — — EP disclosed
EP-0005250-B1 HYDROXYPROPYL IMIDAZOLES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM BAYER AG (DE) 1981-08-12 — — EP disclosed
EP-0031883-A1 Antimicrobial agent containing hydroxy butylimidazole derivatives BAYER AG (DE) 1981-07-15 — — EP disclosed
EP-0029542-A2 Hydroxybutyl-imidazole derivatives, process for their preparation, intermediates necessary for the latter and their use as fungicides BAYER AG (DE) 1981-06-03 — — EP disclosed
EP-0019190-A2 Use of hydroxyalkyl-imidazoles as fungicides BAYER AG (DE) 1980-11-26 — — EP disclosed
EP-0005250-A2 Hydroxypropyl imidazoles, their preparation and medicaments containing them BAYER AG (DE) 1979-11-14 — — EP disclosed
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