SCHEMBL8400465

SCHEMBL8400465

COC(=O)CCC(=O)N(CC#N)c1cccc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.52
MTNR1B P49286 9/20 0.52
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL8397055 0.91 HTT (0.46) MTNR1AMTNR1BKMT2ANPC1TP53
SCHEMBL8400239 0.91 SMN1; SMN2 (0.51) MTNR1AMTNR1BKMT2ANPC1TP53
SCHEMBL8396177 0.88 MTNR1A (0.45) MTNR1AMTNR1BKMT2A
SCHEMBL8400306 0.86 KMT2A (0.43) KMT2ANPC1TP53RAB9A
SCHEMBL8399042 0.85 SMN1; SMN2 (0.39) MTNR1AMTNR1BKMT2ARAB9A
SCHEMBL8399140 0.85 SMN1; SMN2 (0.51) KMT2ANPC1RAB9A
SCHEMBL8398029 0.85 LTB4R2 (0.42) KMT2ANPC1
SCHEMBL8399081 0.85 ALDH1A1 (0.47) KMT2ANPC1TP53RAB9AHSD17B10
SCHEMBL8400558 0.84 SMN1; SMN2 (0.54) KMT2ATP53HSD17B10
SCHEMBL8400188 0.84 SMN1; SMN2 (0.40) MTNR1AMTNR1BKMT2ARAB9A

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
EP-0647636-B1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF SENJU PHARMA CO (JP) 1999-06-09 EP disclosed
US-5532257-A ENZYME INHIBITOR SENJU PHARMACEUTICAL CO., LTD (JP) 1996-07-02 US disclosed
EP-0647636-A1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 1995-04-12 EP disclosed