SCHEMBL29207754

SCHEMBL29207754

CC(C)(C)OC(=O)N1CCC(CN2CCN(c3cncc(Br)c3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.52
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
FPR2 P25090 1/20 0.43
CNR1 P21554 1/20 0.42
TGFBR1 P36897 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
SYK P43405 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL30066265 1.00 GPR119 (0.52) GPR119IDO1TDO2FPR2CNR1
SCHEMBL1704960 0.86 GPR119 (0.51) GPR119ALDH1A1LMNAMAPT
SCHEMBL21877150 0.84 GPR119 (0.56) GPR119FPR2CNR1TGFBR1ALDH1A1
SCHEMBL5656992 0.82 CKS1B (0.48) GPR119ALDH1A1LMNAMAPT
SCHEMBL20294520 0.80 GPR119 (0.56) GPR119FPR2CNR1TGFBR1ALDH1A1
SCHEMBL29207812 0.79 DDB1 (0.49) GPR119
SCHEMBL30066499 0.79 DDB1 (0.49) GPR119
SCHEMBL24671756 0.79 GPR119 (0.74) GPR119CNR1
SCHEMBL29990508 0.79 GPR119 (0.74) GPR119CNR1
SCHEMBL24671505 0.79 GPR119 (0.52) GPR119IDO1TDO2FPR2CNR1

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
CN-117693502-A Compounds for inhibiting or degrading ITK, compositions comprising the same, methods of making the same, and methods of using the same 纽力克斯治疗公司 2024-03-12 CN disclosed