SCHEMBL6817306

SCHEMBL6817306

CC(=O)[N]CC1=C(c2cccc(Br)c2)S(=O)(=O)NC12CCCCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GALR1 P47211 1/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
MITF O75030 1/20 0.30

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
SCHEMBL6823442 0.80 ALDH1A1 (0.32) ALDH1A1GALR1RAB9ASMN1; SMN2
SCHEMBL5963380 0.79 GALR1 (0.40) ALDH1A1GAAMEN1KMT2AGALR1
SCHEMBL5963885 0.70 MTNR1A (0.38) ALDH1A1KMT2ANPC1RAB9ACTSL
Hydrochloric Acid SCHEMBL5964130 0.69 MTNR1A (0.37) ALDH1A1KMT2ANPC1RAB9ACTSL
SCHEMBL5963744 0.69 SMN1; SMN2 (0.42) MEN1KMT2AGALR1SMN1; SMN2
SCHEMBL5963816 0.66 OPRM1 (0.35) ALDH1A1CTSLCTSBCTSS
SCHEMBL5964630 0.65 SMN1; SMN2 (0.41) MEN1KMT2AGALR1CTSSCYP2C9
SCHEMBL5963556 0.65 KMT2A (0.34) KMT2ANPC1RAB9ACTSLCTSB
SCHEMBL5963456 0.64 SLC6A2 (0.36) KMT2ANPC1RAB9ACTSLCTSB
SCHEMBL5963772 0.63 AKR1B1 (0.33) ALDH1A1GALR1CYP2C9CYP2C19

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-1326851-B1 SUBSTITUTED DIPEPTIDES AS GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2004-06-30 EP claimed