SCHEMBL22280445

SCHEMBL22280445

CC(N)c1ccc(N2CCCCC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.49
UBE2T Q9NPD8 1/20 0.49
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
ALOX12 P18054 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CNR1 P21554 1/20 0.42
OGA O60502 3/20 0.42
AOC3 Q16853 1/20 0.41
KIT P10721 1/20 0.41

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 SCHEMBL28608204 0.98 CNR2 (0.48) CNR2UBE2TMAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL28608203 0.98 CNR2 (0.48) CNR2UBE2TMAPTALDH1A1LMNA
SCHEMBL4547927 0.88 CNR2 (0.50) CNR2UBE2TMAPTALDH1A1LMNA
SCHEMBL14147094 0.87 HTR3A (0.46) ALDH1A1OGA
SCHEMBL13466366 0.86 CNR2 (0.48) CNR2UBE2TMAPTALDH1A1LMNA
SCHEMBL14349207 0.82 PANK3 (0.46) CNR2UBE2TMAPTALDH1A1LMNA
SCHEMBL18930172 0.82 MEN1 (0.47) CNR2UBE2TMAPTALDH1A1LMNA
SCHEMBL14217158 0.82 UBE2T (0.45) CNR2UBE2TMAPTALDH1A1LMNA
SCHEMBL14217201 0.82 UBE2T (0.45) CNR2UBE2TMAPTALDH1A1LMNA
SCHEMBL19122027 0.81 MAPT (0.43) CNR2UBE2TMAPTALDH1A1LMNA

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
WO-2020154431-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY LYNCH KEVIN R (US) 2020-07-30 WO disclosed