SCHEMBL30245069

SCHEMBL30245069

COc1cccc(CN(Cc2cccc(OC)c2)c2cccc(OCCOCCOCc3ccccc3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.51
▸ CETP P11597 4/20 0.50
▸ QPCT Q16769 1/20 0.48
▸ MTNR1A P48039 1/20 0.47
▸ MTNR1B P49286 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ BCHE P06276 4/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ CALM1 P0DP23 1/20 0.43
▸ CAMKK2 Q96RR4 1/20 0.43
▸ ABCB1 P08183 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ DRD2 P14416 1/20 0.43

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
SCHEMBL30245313 0.94 CETP (0.46) MAOBCETPQPCTMTNR1AMTNR1B
SCHEMBL25424604 0.94 CETP (0.46) MAOBCETPQPCTMTNR1AMTNR1B
SCHEMBL30245041 0.92 QPCT (0.49) MAOBCETPQPCTTSHRALDH1A1
SCHEMBL30245690 0.91 CETP (0.50) MAOBCETPQPCTMTNR1AMTNR1B
SCHEMBL30245462 0.91 QPCT (0.48) MAOBCETPQPCTTSHRBCHE
SCHEMBL30245268 0.89 QPCT (0.49) MAOBQPCTTSHRALDH1A1
SCHEMBL30245285 0.88 QPCT (0.47) MAOBCETPQPCTMTNR1AMTNR1B
SCHEMBL30245736 0.88 QPCT (0.47) MAOBCETPQPCTMTNR1AMTNR1B
SCHEMBL25297747 0.88 QPCT (0.47) MAOBCETPQPCTMTNR1AMTNR1B
SCHEMBL25251045 0.88 HRH3 (0.44) MAOBCETPQPCTMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4384516-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS Texas Heart Institute (US) 2024-06-19 — — EP claimed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 — — WO claimed
WO-2023018472-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-02-16 — — WO claimed
EP-4384516-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS Texas Heart Institute (US) 2024-06-19 — — EP disclosed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 — — WO disclosed
WO-2023018472-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-02-16 — — WO disclosed
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