SCHEMBL27737005

SCHEMBL27737005

COCc1ccccc1N1CCN(C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 1/20 0.45
PKM P14618 1/20 0.44
POLB P06746 1/20 0.44
GRM5 P41594 1/20 0.44
HPGDS O60760 1/20 0.44
RBP4 P02753 2/20 0.43
HTR1A P08908 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
AKR1C3 P42330 1/20 0.43

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
SCHEMBL615082 0.83 GPR119 (0.48) GAASMN1; SMN2ALDH1A1LMNA
SCHEMBL27737040 0.81 GRM5 (0.48) GAASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL16824847 0.81 MAPT (0.42) GAASMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL1902630 0.80 NCF1 (0.55) GAASMN1; SMN2LMNARAB9AMEN1
SCHEMBL22635909 0.80 NCF1 (0.58) LMNAKMT2AHTR1ASLC6A2SLC6A4
SCHEMBL418681 0.79 RBP4 (0.46) GAASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3904994 0.77 KMT2A (0.68) SMN1; SMN2ALDH1A1LMNARAB9AMEN1
SCHEMBL2456483 0.77 DRD4 (0.58) ALDH1A1RAB9ADRD2
SCHEMBL2549123 0.76 GAA (0.67) GAASMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL2549118 0.76 GAA (0.67) GAASMN1; SMN2ALDH1A1RAB9AKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102295636-A Indol-3-y-carbonyl-piperidin and piperazin-derivatives 2011-12-28 CN disclosed
CN-101277945-A Indol-3-yl-carbonyl-piperidine and piperazine derivatives HOFFMANN LA ROCHE (CH) 2008-10-01 CN disclosed