SCHEMBL12354084

SCHEMBL12354084

O=C(c1nc2cc(F)ccc2s1)N1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ NAAA Q02083 2/20 0.46
▸ SCN9A Q15858 2/20 0.45
▸ MAPK14 Q16539 1/20 0.45
▸ DYRK1A Q13627 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ RBP4 P02753 1/20 0.42
▸ TDO2 P48775 1/20 0.41
▸ SCN7A Q01118 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ UBE2M P61081 3/20 0.41
▸ DCUN1D1 Q96GG9 3/20 0.41
▸ HRH4 Q9H3N8 2/20 0.41
▸ MKNK2 Q9HBH9 2/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL16306693 0.85 RAB9A (0.49) HPGDRAB9ADYRK1ASMN1; SMN2ALDH1A1
SCHEMBL28222855 0.84 SCN9A (0.48) HPGDRAB9ASCN9ADYRK1ASMN1; SMN2
SCHEMBL3642370 0.74 DYRK1A (0.55) RAB9ADYRK1ASMN1; SMN2MAOB
SCHEMBL17275047 0.74 RAB9A (0.58) RAB9ANAAASCN9ASMN1; SMN2ALDH1A1
SCHEMBL12353792 0.74 MAOA (0.52) HPGDRAB9ADYRK1ASMN1; SMN2ALDH1A1
SCHEMBL12271749 0.74 SMN1; SMN2 (0.47) HPGDRAB9ANAAASCN9ASMN1; SMN2
SCHEMBL417526 0.73 DYRK1A (0.54) RAB9ADYRK1AGFERMAOB
SCHEMBL6982986 0.73 DYRK1A (0.61) HPGDRAB9ADYRK1ASMN1; SMN2ALDH1A1
SCHEMBL602139 0.73 HRH4 (0.60) TDO2HRH4
SCHEMBL17092665 0.72 RBP4 (0.43) HPGDDYRK1ASMN1; SMN2ALDH1A1TSHR

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
EP-2351749-A1 CARBAMATE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-08-03 — — EP disclosed
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