SCHEMBL20053259

SCHEMBL20053259

CC(C)NC(=O)N1CC(C(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
PKM P14618 1/20 0.48
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 3/20 0.38
DPP4 P27487 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 3/20 0.36
TSHR P16473 2/20 0.36
HCRTR2 O43614 1/20 0.35
PDE4B Q07343 1/20 0.34
TACR1 P25103 1/20 0.33

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
SCHEMBL19735097 0.81 POLB (0.50) HCRTR2TACR1
SCHEMBL12448072 0.81 SMN1; SMN2 (0.50) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL15298999 0.81 SMN1; SMN2 (0.50) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL12385957 0.80 SMN1; SMN2 (0.55) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL24567517 0.79 DPP4 (0.49) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL24449469 0.78 SMN1; SMN2 (0.41) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL15943589 0.78 SMN1; SMN2 (0.47) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL25463792 0.78 PKM (0.47) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL22917045 0.78 SMN1; SMN2 (0.50) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL14355655 0.78 SMN1; SMN2 (0.47) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023172737-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-09-14 WO disclosed
US-9944646-B2 Bicyclic azaheterocyclobenzylamines as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2018-04-17 US disclosed