SCHEMBL6676686

SCHEMBL6676686

O=C(NCCOc1ccc(S)cc1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
NPC1 O15118 3/20 0.45
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.42
RHOC P08134 1/20 0.42
RHOA P61586 1/20 0.42

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
SCHEMBL6382771 0.83 MTNR1A (0.65) MTNR1AMTNR1BNPC1SMN1; SMN2POLB
SCHEMBL23568434 0.81 ALDH1A1 (0.48) MTNR1AMTNR1BNPC1USP2ALOX15
SCHEMBL13293930 0.81 MTNR1A (0.45) MTNR1AMTNR1BNPC1USP2ALOX15
SCHEMBL15904295 0.81 MTNR1A (0.45) MTNR1AMTNR1BNPC1USP2ALOX15
Hydrochloric Acid SCHEMBL27202277 0.80 ALDH1A1 (0.47) MTNR1AMTNR1BNPC1USP2ALOX15
SCHEMBL6275214 0.77 SMN1; SMN2 (0.47) NPC1SMN1; SMN2ALDH1A1POLBRAB9A
SCHEMBL15904166 0.76 ALDH1A1 (0.52) MTNR1AMTNR1BSMN1; SMN2ALDH1A1POLB
SCHEMBL16935825 0.74 POLB (0.53) NPC1SMN1; SMN2ALDH1A1POLBRAB9A
SCHEMBL23568432 0.74 CA12 (0.56) SMN1; SMN2ALDH1A1LMNA
SCHEMBL613023 0.73 MTNR1A (0.44) MTNR1AMTNR1BNPC1SMN1; SMN2ALDH1A1

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-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 WO disclosed