SCHEMBL16129887

SCHEMBL16129887

CCOC(=O)c1cnn2c1CN(C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.45
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ HPGD P15428 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 4/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ ENPP2 Q13822 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ BRAF P15056 2/20 0.37
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ HTR2A P28223 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
SCHEMBL16129751 0.88 TACR1 (0.41) TACR1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL16099435 0.81 TACR1 (0.44) TACR1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL16100235 0.80 TACR1 (0.46) TACR1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL3555080 0.79 MAPT (0.49) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL16099909 0.77 TACR1 (0.42) TACR1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL16094218 0.77 TACR1 (0.45) TACR1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL16099088 0.76 TACR1 (0.41) TACR1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL16099607 0.76 TACR1 (0.41) TACR1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL16094402 0.74 TACR1 (0.42) TACR1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL16101985 0.74 ENPP2 (0.43) TACR1MEN1KMT2AHPGDSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — WO disclosed
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