SCHEMBL28313672

SCHEMBL28313672

CC(C)CNC(=O)C1CCN(c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 1/20 0.54
RAB9A P51151 1/20 0.54
CHRM2 P08172 2/20 0.53
KMT2A Q03164 1/20 0.53
USP2 O75604 1/20 0.52
HPGD P15428 1/20 0.52
ME3 Q16798 1/20 0.51
NOTUM Q6P988 1/20 0.50
GFER P55789 1/20 0.50
EPHX2 P34913 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
RORC P51449 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MALT1 Q9UDY8 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
Hydrochloric Acid SCHEMBL28304541 0.80 POLB (0.59) SMN1; SMN2LMNARAB9AKMT2AHPGD
SCHEMBL4035778 0.80 NPSR1 (0.70) CHRM4USP2HPGDEPHX2NPSR1
SCHEMBL15808499 0.78 KDM4E (0.73) CHRM4LMNAGAACHRM2KMT2A
SCHEMBL11052233 0.77 GAA (0.64) SMN1; SMN2LMNAGAAKMT2AUSP2
SCHEMBL28276627 0.77 GFER (0.50) CHRM4SMN1; SMN2LMNARAB9ACHRM2
SCHEMBL1579348 0.76 HSD17B10 (0.52) SMN1; SMN2LMNAGAARAB9AKMT2A
SCHEMBL21213779 0.76 EPHX2 (0.49) SMN1; SMN2LMNAGAARAB9AKMT2A
SCHEMBL12425624 0.75 CYP2D6 (0.50) SMN1; SMN2KMT2AEPHX2CYP2C19
SCHEMBL26238627 0.74 DRD2 (0.49) SMN1; SMN2GAAKMT2AHTTNPSR1
SCHEMBL13745556 0.74 SMN1; SMN2 (0.60) SMN1; SMN2LMNARAB9AKMT2A

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-110177786-A Pyrazolo [1,5-A] pyridine compounds being substituted are as RET kinase inhibitor 阿雷生物药品公司 2019-08-27 CN disclosed