SCHEMBL29194586

SCHEMBL29194586

COc1cccc(CN(Cc2cccc(N(C)C)c2)c2ccnc(OCCOc3cccc(N(C)C)c3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 2/20 0.47
▸ CETP P11597 4/20 0.41
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ APP P05067 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ SLC2A4 P14672 3/20 0.38
▸ SLC2A8 Q9NY64 1/20 0.38
▸ CALM1 P0DP23 1/20 0.37
▸ CAMKK2 Q96RR4 1/20 0.37
▸ SLC2A1 P11166 3/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ GRM2 Q14416 1/20 0.36

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
SCHEMBL30245279 1.00 QPCT (0.47) QPCTCETPMTNR1AMTNR1BAPP
SCHEMBL30245488 0.99 QPCT (0.47) QPCTCETPMTNR1AMTNR1BAPP
SCHEMBL30245420 0.95 QPCT (0.44) QPCTCETPPOLBHPGDRECQL
SCHEMBL30245693 0.90 QPCT (0.52) QPCTCETPMTNR1AMTNR1BAPP
SCHEMBL30245310 0.89 QPCT (0.53) QPCTCETPMTNR1AMTNR1BAPP
SCHEMBL30245174 0.88 QPCT (0.42) QPCTCETPMTNR1AMTNR1BAPP
SCHEMBL25295796 0.88 QPCT (0.39) QPCTCETP
SCHEMBL30245196 0.88 QPCT (0.39) QPCTCETP
SCHEMBL30244877 0.88 QPCT (0.49) QPCTCETPSLC2A4SLC2A8SLC2A1
SCHEMBL25426407 0.87 QPCT (0.64) QPCTPOLBHPGDRECQL

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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