SCHEMBL14838652

SCHEMBL14838652

O=C(c1ccc(Cl)s1)N(Cc1ccccc1)C[C@H]1CO1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 9/20 0.41
▸ AVPR1A P37288 9/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ F10 P00742 1/20 0.39
▸ DAO P14920 1/20 0.39
▸ LPAR1 Q92633 1/20 0.38
▸ LPAR5 Q9H1C0 1/20 0.38

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
SCHEMBL11160181 0.80 OXTR (0.53) OXTRAVPR1AMEN1KMT2AHDAC3
SCHEMBL334445 0.78 MEN1 (0.50) OXTRAVPR1AMEN1KMT2A
SCHEMBL10702229 0.74 TSHR (0.66) OXTRAVPR1AMEN1KMT2AHDAC1
SCHEMBL14838645 0.74 HDAC3 (0.41) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL14830296 0.71 HDAC4 (0.39) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL10705618 0.71 MEN1 (0.43) OXTRAVPR1AMEN1KMT2ATDP1
SCHEMBL1934549 0.71 OXTR (0.53) OXTRAVPR1AHDAC1HDAC6OPRM1
SCHEMBL10705013 0.70 MEN1 (0.46) OXTRAVPR1AMEN1KMT2A
SCHEMBL11168777 0.69 MEN1 (0.58) OXTRAVPR1AMEN1KMT2AOPRM1
SCHEMBL17375904 0.69 HDAC3 (0.50) OXTRAVPR1AMEN1KMT2AHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013046211-A1 PROCESSES FOR THE PREPARATION OF 5-CHLORO-N-({(5S)-2-OXO-3-[4-(3-OXO-4-MORPHOLINYL) PHENYL]-1,3-OXAZOLIDIN-5-YL}METHYL)-2-THIOPHENE-CARBOXAMIDE AND INTERMEDIATES THEREOF SYMED LABS LIMITED (IN) 2013-04-04 — — WO disclosed
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