SCHEMBL29194490

SCHEMBL29194490

COc1cccc(CN(Cc2ccc(N3CCOCC3)cc2)c2ccc(OCCN3CCOCC3)cn2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ ABCB1 P08183 3/20 0.45
▸ STAT6 P42226 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ ROCK2 O75116 2/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ DRD2 P14416 3/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 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
SCHEMBL30245649 1.00 LTA4H (0.48) LTA4HALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL29194615 0.95 ALDH1A1 (0.47) LTA4HALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL30244868 0.95 ALDH1A1 (0.47) LTA4HALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL30245572 0.94 ALDH1A1 (0.54) LTA4HALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL25252979 0.91 LTA4H (0.49) LTA4HALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL30245121 0.91 LTA4H (0.49) LTA4HALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL30245317 0.91 ALDH1A1 (0.46) LTA4HALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL29194445 0.91 ALDH1A1 (0.46) LTA4HALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL30245817 0.90 ALDH1A1 (0.45) ALDH1A1TSHRSMN1; SMN2NPSR1STAT6
SCHEMBL25424093 0.89 LTA4H (0.44) LTA4HALDH1A1TSHRSMN1; SMN2NPSR1

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
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 — — CN claimed
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 — — CN disclosed
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