SCHEMBL2170997

SCHEMBL2170997

CCC(=O)Nc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.62
MTNR1B P49286 1/20 0.62
FNTA P49354 1/20 0.59
FNTB P49356 1/20 0.59
ALDH1A1 P00352 4/20 0.58
HPGD P15428 3/20 0.58
TSHR P16473 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
GAA P10253 4/20 0.58
LMNA P02545 1/20 0.54
KMT2A Q03164 2/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 2/20 0.51
ATM Q13315 1/20 0.51

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
SCHEMBL4790863 0.89 ALDH1A1 (0.65) ALDH1A1HPGDTSHRSMN1; SMN2L3MBTL1
Fluoride SCHEMBL27918634 0.88 ALDH1A1 (0.62) ALDH1A1HPGDTSHRSMN1; SMN2L3MBTL1
SCHEMBL2173035 0.85 MTNR1A (0.73) MTNR1AMTNR1BALDH1A1HPGDTSHR
SCHEMBL2169725 0.85 MTNR1A (0.78) MTNR1AMTNR1BFNTAFNTBALDH1A1
SCHEMBL14447211 0.85 MTNR1A (0.64) MTNR1AMTNR1BFNTAFNTBALDH1A1
SCHEMBL2172248 0.85 MTNR1A (0.64) MTNR1AMTNR1BFNTAFNTBALDH1A1
SCHEMBL2171356 0.84 MTNR1B (0.66) MTNR1AMTNR1BALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2171671 0.83 L3MBTL1 (0.68) MTNR1AMTNR1BFNTAFNTBALDH1A1
SCHEMBL20942366 0.82 RNF4 (0.67) FNTAFNTBALDH1A1HPGDSMN1; SMN2
SCHEMBL18666169 0.82 MTNR1A (0.61) MTNR1AMTNR1BALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349252-A2 SYNERGISTIC COMBINATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS Exelixis, Inc. (US) 2011-08-03 EP disclosed
EP-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP disclosed
WO-2010045580-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS EXELIXIS, INC. (US) 2010-04-22 WO disclosed
WO-2010045601-A2 SYNERGISTIC EFFECTS BETWEEN SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS EXELIXIS, INC. (US) 2010-04-22 WO disclosed