SCHEMBL24467773

SCHEMBL24467773

c1nc(N2CCNCC2)cnc1C1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 3/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.47
▸ PLD1 Q13393 1/20 0.42
▸ DDB1 Q16531 1/20 0.41
▸ CRBN Q96SW2 1/20 0.41
▸ PIM1 P11309 2/20 0.41
▸ PIM3 Q86V86 2/20 0.41
▸ PIM2 Q9P1W9 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 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
SCHEMBL29631771 1.00 HRH4 (0.47) HRH4HRH3PLD1DDB1CRBN
SCHEMBL19203782 0.81 HRH4 (0.37) HRH4HRH3PLD1DDB1CRBN
SCHEMBL24467748 0.79 HRH4 (0.47) HRH4HRH3SLC6A9HTR3A
SCHEMBL2365777 0.75 DDB1 (0.49) HRH4HRH3PLD1DDB1CRBN
SCHEMBL29631816 0.74 SLC6A9 (0.44) HRH3KDM4ESLC6A9
SCHEMBL2629281 0.74 PLD1 (0.47) HRH4HRH3PLD1ALDH1A1KDM4E
SCHEMBL30899619 0.73 NCF1 (0.41) HRH4HRH3PIM1PIM3PIM2
SCHEMBL1763039 0.73 PLD1 (0.46) HRH4HRH3PLD1ALDH1A1KDM4E
SCHEMBL25246367 0.73 PLD1 (0.46) HRH4HRH3PLD1ALDH1A1KDM4E
SCHEMBL14916857 0.73 HRH3 (0.50) HRH4HRH3PLD1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116157396-A Pyridazinone derivatives and their use in medicine 成都百裕制药股份有限公司 2023-05-23 — — CN disclosed
WO-2022111700-A1 PYRIDAZINONE DERIVATIVES AND USE THEREOF IN MEDICINE 成都百裕制药股份有限公司 2022-06-02 — — WO disclosed
WO-2022111700-A1 PYRIDAZINONE DERIVATIVES AND USE THEREOF IN MEDICINE 成都百裕制药股份有限公司 2022-06-02 — — WO disclosed
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