SCHEMBL7998062

SCHEMBL7998062

CC(CNC(=O)OCc1ccccc1)c1c[nH]c2cc(O)ccc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.46
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
NMBR P28336 2/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BMP1 P13497 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
TACR1 P25103 1/20 0.40

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
SCHEMBL7983683 0.81 TRPV1 (0.51) TRPV1MTNR1AMTNR1BMAPTTACR1
SCHEMBL9765283 0.79 LMNA (0.45) HTTLMNASMN1; SMN2
SCHEMBL7995640 0.78 ALDH1A1 (0.50) TRPV1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL9765305 0.75 LMNA (0.51) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL13073758 0.74 LMNA (0.55) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL13073762 0.74 LMNA (0.55) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL9092208 0.73 NMBR (0.48) NMBRBMP1GAAMAPTHTT
SCHEMBL4431806 0.72 LMNA (0.56) HTTLMNASMN1; SMN2
SCHEMBL4430839 0.72 LMNA (0.56) HTTLMNASMN1; SMN2
SCHEMBL4430842 0.72 LMNA (0.56) HTTLMNASMN1; 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-2001040183-A1 1-AMINOALKYL-1H-INDOLES FOR TREATING GLAUCOMA ALCON UNIVERSAL LTD. (CH) 2001-06-07 WO disclosed