SCHEMBL24290451

SCHEMBL24290451

c1cn(C2CCC2)nc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SIGMAR1 Q99720 1/20 0.35
HCRTR2 O43614 1/20 0.31
WDR5 P61964 1/20 0.31
AADAT Q8N5Z0 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
PKM P14618 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
SCHEMBL27933593 0.92 FAAH (0.40) FAAHMGLLNPC1RAB9ASMN1; SMN2
SCHEMBL28949648 0.92 NPC1 (0.42) FAAHMGLLNPC1RAB9ASMN1; SMN2
SCHEMBL31081840 0.85 FAAH (0.43) FAAHMGLLNPC1RAB9ASMN1; SMN2
SCHEMBL31081780 0.81 FAAH (0.46) FAAHMGLLSIGMAR1
SCHEMBL31081832 0.81 FAAH (0.46) FAAHMGLLSIGMAR1
SCHEMBL31389482 0.79 NPC1 (0.37) FAAHMGLLNPC1RAB9ASMN1; SMN2
SCHEMBL27091113 0.75 NPC1 (0.38) FAAHMGLLNPC1RAB9ASMN1; SMN2
SCHEMBL24290453 0.75 NPC1 (0.38) FAAHMGLLNPC1RAB9ASMN1; SMN2
SCHEMBL27092020 0.75 NPC1 (0.35) FAAHMGLLNPC1RAB9ASMN1; SMN2
SCHEMBL27091203 0.75 NPC1 (0.35) FAAHMGLLNPC1RAB9ASMN1; 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
WO-2022073469-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2022-04-14 WO disclosed