SCHEMBL24693307

SCHEMBL24693307

CC(=O)N1CC2CN(C(=O)OC(C)(C)C)C[C@H]2C1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.60
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
GPR119 Q8TDV5 4/20 0.41
RECQL P46063 1/20 0.41
EPHX1 P07099 1/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
NAMPT P43490 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 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
SCHEMBL25936179 1.00 NR1H2 (0.60) NR1H2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17197424 1.00 NR1H2 (0.60) NR1H2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18711408 1.00 NR1H2 (0.60) NR1H2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17518858 0.88 GPR119 (0.49) NR1H2HPGDHDAC1HDAC2GPR119
SCHEMBL20607542 0.88 NR1H2 (0.53) NR1H2HPGDGPR119RECQL
SCHEMBL22919204 0.86 NR1H2 (0.54) NR1H2HPGDGPR119RECQLEPHX1
SCHEMBL22919229 0.86 NR1H2 (0.54) NR1H2HPGDGPR119RECQLEPHX1
SCHEMBL29209018 0.86 NR1H2 (0.54) NR1H2HPGDGPR119RECQLEPHX1
SCHEMBL17518859 0.85 MEN1 (0.51) NR1H2USP2SMN1; SMN2HPGDHDAC1
SCHEMBL2966871 0.85 NR1H2 (0.60) NR1H2USP2SMN1; SMN2HPGDHDAC1

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-2022253167-A1 SUBSTITUTED PHENYL-1H-PYRROLO [2, 3-c] PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2022-12-08 WO disclosed