SCHEMBL5321756

SCHEMBL5321756

CCOC(=O)CC(=O)NC1CCCN(c2ccc(Br)cc2F)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 1/20 0.49
▸ MAPT P10636 6/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ F10 P00742 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ GABRA2 P47869 1/20 0.38
▸ GABRA6 Q16445 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL5321750 1.00 OPRK1 (0.49) OPRK1MAPTALDH1A1LMNAL3MBTL1
SCHEMBL5321515 0.86 SMN1; SMN2 (0.42) OPRK1MAPTLMNASMN1; SMN2F10
SCHEMBL5321509 0.86 SMN1; SMN2 (0.42) OPRK1MAPTLMNASMN1; SMN2F10
SCHEMBL5468309 0.83 CNR1 (0.41) OPRK1MAPTALDH1A1SMN1; SMN2
SCHEMBL5469398 0.83 RAB9A (0.41) OPRK1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL5324440 0.83 RAB9A (0.41) OPRK1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL30350660 0.75 L3MBTL1 (0.46) OPRK1MAPTALDH1A1LMNAL3MBTL1
SCHEMBL19510704 0.75 L3MBTL1 (0.46) OPRK1MAPTALDH1A1LMNAL3MBTL1
SCHEMBL25031455 0.72 LGMN (0.56) MAPTALDH1A1L3MBTL1SMN1; SMN2POLB
SCHEMBL10629048 0.70 MAPT (0.53) MAPTALDH1A1LMNAL3MBTL1SMN1; 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-2007103719-A2 MODULATORS OF 11-β HYDROXYL STEROID DEHYDROGENASE TYPE 1, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2007-09-13 — — WO disclosed
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