SCHEMBL3661611

SCHEMBL3661611

COc1ccc(Br)c(CCNC(=O)O)c1C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL12312065 0.84 DRD2 (0.43) MTNR1AMTNR1B
SCHEMBL3662753 0.82 SMN1; SMN2 (0.46) MTNR1AMTNR1BKMT2ASMN1; SMN2
SCHEMBL15319511 0.77 CA12 (0.56) KMT2ASMN1; SMN2
SCHEMBL17253669 0.76 ALDH1A1 (0.37) NPC1RAB9ASMN1; SMN2
SCHEMBL3661730 0.74 TAAR1 (0.46) KMT2A
SCHEMBL3754466 0.74 L3MBTL1 (0.36) POLBKMT2ASMN1; SMN2
SCHEMBL17221218 0.74 ERN1 (0.40) NPC1RAB9ASMN1; SMN2
SCHEMBL23088431 0.73 L3MBTL1 (0.42) KMT2ASMN1; SMN2
SCHEMBL17232489 0.72 NQO2 (0.39) KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL25239250 0.72 HTR2A (0.65) POLBKMT2ASMN1; SMN2

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
EP-2222671-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) Glaxo Group Limited (GB) 2010-09-01 EP disclosed
WO-2009080728-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed