SCHEMBL6949404

SCHEMBL6949404

O=C(O)NCC(=O)[C@H](Cl)CSc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.45
MTNR1B P49286 4/20 0.45
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
FFAR1 O14842 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
RECQL P46063 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HPGD P15428 3/20 0.38
MMP2 P08253 3/20 0.37
MMP3 P08254 3/20 0.37
MMP9 P14780 3/20 0.37
MMP13 P45452 2/20 0.37
MMP1 P03956 1/20 0.37
MMP8 P22894 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL8026110 1.00 MTNR1A (0.45) MTNR1AMTNR1BRAB9ANPC1FFAR1
SCHEMBL6948505 1.00 MTNR1A (0.45) MTNR1AMTNR1BRAB9ANPC1FFAR1
SCHEMBL6948627 0.76 CYP1A2 (0.44) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL10981380 0.74 MTNR1A (0.51) MTNR1AMTNR1BRAB9ANPC1FFAR1
SCHEMBL11877392 0.74 CYP1A2 (0.50) MTNR1AMTNR1BRAB9ANPC1FFAR1
SCHEMBL10401919 0.70 RAB9A (0.69) MTNR1AMTNR1BRAB9ANPC1FFAR1
SCHEMBL6946788 0.69 MTNR1A (0.49) MTNR1AMTNR1BRAB9ANPC1FFAR1
SCHEMBL6946792 0.69 MTNR1A (0.49) MTNR1AMTNR1BRAB9ANPC1FFAR1
SCHEMBL6949401 0.69 MTNR1A (0.49) MTNR1AMTNR1BRAB9ANPC1FFAR1
SCHEMBL26648650 0.69 MAOA (0.46) MTNR1AMTNR1BRAB9ANPC1FFAR1

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-0827943-B1 PROCESSES FOR THE REDUCTION OF CARBONYL COMPOUNDS KANEKA CORP (JP) 2003-05-21 EP claimed