SCHEMBL18947196

SCHEMBL18947196

CCC(=O)N1CCN(C(=O)OC(C)(C)C)C(=O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
DTYMK P23919 2/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
NR1H2 P55055 2/20 0.37
BLM P54132 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ESR2 Q92731 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CTSK P43235 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL25422301 0.85 USP2 (0.47) DDB1CRBNUSP2SMN1; SMN2NR1H2
SCHEMBL15200845 0.83 USP2 (0.41) DDB1CRBNUSP2SMN1; SMN2CHRM2
SCHEMBL28933672 0.80 CHRM2 (0.36) DDB1CRBNUSP2SMN1; SMN2CHRM2
SCHEMBL8431612 0.79 SMN1; SMN2 (0.55) DDB1CRBNDTYMKUSP2SMN1; SMN2
SCHEMBL31218507 0.78 CHRM2 (0.44) USP2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL17405125 0.76 MEN1 (0.47) USP2SMN1; SMN2NR1H2MEN1KMT2A
SCHEMBL4796997 0.76 CHRM2 (0.43) USP2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL13793654 0.74 MEN1 (0.49) CRBNBLMMEN1KMT2AKDM4E
SCHEMBL17934203 0.74 MEN1 (0.51) DDB1CRBNDTYMKUSP2SMN1; SMN2
SCHEMBL3635546 0.74 P2RX7 (0.45) DDB1CRBNDTYMKUSP2SMN1; SMN2

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-3036236-B1 NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II LEO PHARMA AS (DK) 2017-06-07 EP disclosed