SCHEMBL31284940

SCHEMBL31284940

Brc1cc(Cc2cnc[nH]2)c2occc2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.47
▸ ADRA1D P25100 10/20 0.43
▸ ADRA2A P08913 2/20 0.43
▸ ADRA2B P18089 2/20 0.43
▸ ADRA2C P18825 2/20 0.43
▸ ADRA1A P35348 2/20 0.43
▸ ADRA1B P35368 2/20 0.43
▸ CYP11B1 P15538 3/20 0.40
▸ CYP11B2 P19099 3/20 0.40
▸ CYP19A1 P11511 2/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2626838 0.79 ADRA1D (0.60) HRH3ADRA1DADRA2AADRA2BADRA2C
SCHEMBL2102631 0.73 CYP3A4 (0.33) CYP3A4
SCHEMBL2104378 0.71 HTR2A (0.32) —
SCHEMBL7482318 0.70 MAOB (0.36) CYP3A4
SCHEMBL31305973 0.70 MAOB (0.36) CYP3A4
SCHEMBL4609535 0.68 CYP3A4 (0.30) CYP3A4
SCHEMBL2626817 0.66 ADRA1D (0.63) HRH3ADRA1DADRA2AADRA2BADRA2C
SCHEMBL8800540 0.65 MAOB (0.33) —
SCHEMBL2875824 0.64 HRH3 (0.53) HRH3ADRA1DADRA2AADRA2BADRA2C
SCHEMBL27554580 0.64 ADRA1D (0.58) HRH3ADRA1DHRH4

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
EP-4729516-A1 SUBSTITUTED IMIDAZOLE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu NHWA Pharmaceutical Co., Ltd (CN) 2026-04-22 — — EP claimed
WO-2024260319-A1 SUBSTITUTED IMIDAZOLE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏恩华药业股份有限公司 2024-12-26 — — WO claimed
EP-4729516-A1 SUBSTITUTED IMIDAZOLE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu NHWA Pharmaceutical Co., Ltd (CN) 2026-04-22 — — EP disclosed
WO-2024260319-A1 SUBSTITUTED IMIDAZOLE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏恩华药业股份有限公司 2024-12-26 — — WO disclosed
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