SCHEMBL23850640

SCHEMBL23850640

CC(=O)NC(CCCCB1OC(C)(C)C(C)(C)O1)(C(=O)NC(C)(C)C)C1CCN(C(C)c2ccccc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.33
CHRM4 P08173 2/20 0.33
ALDH1A1 P00352 2/20 0.32
HSD11B1 P28845 1/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
CYP2D6 P10635 1/20 0.31
LTA4H P09960 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL23853977 0.83 BCHE (0.33) ALDH1A1LMNA
SCHEMBL23852846 0.80 HTR2C (0.31) HSD11B1OPRM1OPRD1OPRK1OPRL1
SCHEMBL23850110 0.80 TEAD1 (0.38) DRD4CHRM4ALDH1A1UBE2MDCUN1D1
SCHEMBL23853475 0.79 HTR2C (0.37) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL896227 0.78
SCHEMBL24210637 0.78 DRD4 (0.35) DRD4CHRM4ALDH1A1UBE2MDCUN1D1
SCHEMBL23850101 0.78 USP30 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL23853479 0.78 USP30 (0.34) ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL21064763 0.78
SCHEMBL10207361 0.77 DRD4 (0.34) DRD4ALDH1A1LMNAMEN1HTT

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-3883938-A1 INHIBITORS OF ARGINASE Praxis Biotech LLC (US) 2021-09-29 EP disclosed