SCHEMBL28249934

SCHEMBL28249934

CN(CCCN1C[CH]CC1)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.35
METAP2 P50579 1/20 0.34
DRD2 P14416 5/20 0.33
AAK1 Q2M2I8 1/20 0.32
GBA1 P04062 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
CTSD P07339 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
PDK2 Q15119 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL30802029 0.80 SIGMAR1 (0.42) SIGMAR1
SCHEMBL27377077 0.80 KEAP1 (0.34) TRPV4DRD2SIGMAR1
SCHEMBL20688772 0.80 CTSD (0.44) CTSDCTSLCTSBCTSS
SCHEMBL22181631 0.79 ALOX15 (0.35) DRD2
SCHEMBL22181259 0.79 METAP2 (0.35) TRPV4METAP2DRD2AAK1SIGMAR1
SCHEMBL22181464 0.77 NR1H2 (0.36) DRD2
SCHEMBL31250574 0.76 SIGMAR1 (0.44) DRD2SIGMAR1
SCHEMBL22181206 0.76 ACHE (0.37) DRD2HTR2CSLC6A4
SCHEMBL22181263 0.76 CCR5 (0.35) TRPV4DRD2
SCHEMBL25977462 0.76 SIGMAR1 (0.50) SIGMAR1

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-108779123-A Fused tetracyclic compound, its composition and purposes 泰博生物科技有限公司 2018-11-09 CN disclosed