SCHEMBL31415757

SCHEMBL31415757

Clc1ccc(CCn2cc(Cn3ccnc3)nn2)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C8 P10632 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ GRIN1 Q05586 1/20 0.47
▸ GRIN2B Q13224 1/20 0.47
▸ CYP11B1 P15538 8/20 0.45
▸ CYP11B2 P19099 7/20 0.45
▸ CYP19A1 P11511 4/20 0.45
▸ CYP2A6 P11509 1/20 0.45
▸ CYP2B6 P20813 1/20 0.45
▸ HRH4 Q9H3N8 1/20 0.44
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ PGGT1B P53609 1/20 0.41
▸ NR1I3 Q14994 1/20 0.41

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
SCHEMBL31415761 0.87 CYP19A1 (0.58) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL31415791 0.82 CYP11B1 (0.57) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL31415760 0.82 CYP11B1 (0.57) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL31415772 0.82 CYP19A1 (0.57) CYP11B1CYP11B2CYP19A1
SCHEMBL31415764 0.82 CYP11B1 (0.55) CYP1A2CYP3A4CYP2D6CYP11B1CYP11B2
SCHEMBL31415788 0.80 HRH4 (0.45) CYP1A2CYP2D6CYP19A1HRH4NR1I3
SCHEMBL31415786 0.80 CYP19A1 (0.56) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL31415832 0.79 HMOX1 (0.54) CYP11B1CYP11B2CYP19A1HRH4
SCHEMBL31415790 0.79 HRH4 (0.43) CYP1A2CYP2D6CYP19A1HRH4NR1I3
SCHEMBL27944073 0.77 CYP11B1 (0.69) CYP1A2CYP3A4CYP2D6CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025003984-A1 INHIBITORS OF HEME OXYGENASE, COMPOSITIONS AND USES THEREOF Università Degli Studi del Piemonte Orientale “Amedeo Avogadro” (IT) 2025-01-02 — — WO claimed
WO-2025003984-A1 INHIBITORS OF HEME OXYGENASE, COMPOSITIONS AND USES THEREOF Università Degli Studi del Piemonte Orientale “Amedeo Avogadro” (IT) 2025-01-02 — — WO disclosed
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