SCHEMBL28600767

SCHEMBL28600767

c1ccc(COc2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.47
▸ PTGER1 P34995 7/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NTSR1 P30989 1/20 0.44
▸ MAOB P27338 6/20 0.44
▸ MAOA P21397 4/20 0.44
▸ SQOR Q9Y6N5 1/20 0.43
▸ CYP2C9 P11712 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PDE5A O76074 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
SCHEMBL30835106 1.00 GRM5 (0.47) GRM5PTGER1MEN1KMT2ANTSR1
SCHEMBL30835107 0.96 GRM5 (0.47) GRM5PTGER1MEN1KMT2ANTSR1
SCHEMBL30835058 0.81 GRM5 (0.45) GRM5PTGER1ALDH1A1
SCHEMBL28609714 0.81 GRM5 (0.45) GRM5PTGER1ALDH1A1
SCHEMBL19830901 0.80 NPC1 (0.41) GRM5PTGER1MEN1KMT2ACYP3A4
SCHEMBL30834996 0.80 NPC1 (0.41) GRM5PTGER1MEN1KMT2ACYP3A4
SCHEMBL19830908 0.80 GRM5 (0.44) GRM5PTGER1CYP2C9CYP3A4
SCHEMBL19831014 0.80 MAOB (0.54) GRM5PTGER1MEN1KMT2ANTSR1
SCHEMBL30835094 0.80 CYP11B1 (0.54) GRM5PTGER1CYP2C9CYP3A4ALDH1A1
SCHEMBL28286344 0.80 CYP11B1 (0.54) GRM5PTGER1CYP2C9CYP3A4ALDH1A1

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-112961102-B Metal complex and electron transport material using the same 大电株式会社 2024-03-12 — — CN disclosed
CN-109689665-B Metal complex and electron transport material using the same 大电株式会社 2021-10-01 — — CN disclosed
CN-112961102-A Metal complex and electron transport material using the same 大电株式会社 2021-06-15 — — CN disclosed
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