SCHEMBL8303076

SCHEMBL8303076

O=CCN(C(=O)C1CCCCC1)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.45
CNR1 P21554 1/20 0.45
NR1H4 Q96RI1 2/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
ACHE P22303 1/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 1/20 0.39
BCL2A1 Q16548 1/20 0.38
SLC6A9 P48067 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
AGER Q15109 2/20 0.36
MTNR1A P48039 1/20 0.36

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
SCHEMBL8303697 0.85 HTT (0.61) CNR2CNR1NR1H4HTTRAB9A
SCHEMBL8296750 0.83 CNR2 (0.55) CNR2CNR1NR1H4HTTRAB9A
SCHEMBL3483223 0.82 HTT (0.45) CNR2CNR1NR1H4HTTRAB9A
SCHEMBL2844465 0.76 RAB9A (0.43) CNR2CNR1RAB9ASMN1; SMN2POLB
SCHEMBL5085953 0.75 MLNR (0.49) CNR2CNR1RAB9ANPC1
SCHEMBL2844471 0.74 RAB9A (0.41) RAB9ANPC1LMNASLC6A9MAPT
SCHEMBL8297213 0.73 SMN1; SMN2 (0.48) CNR2CNR1NR1H4SMN1; SMN2ACHE
SCHEMBL3327015 0.72 NR1H4 (0.39) NR1H4HTT
SCHEMBL8296928 0.71 LMNA (0.42) CNR2CNR1HTTRAB9ASMN1; SMN2
SCHEMBL10989044 0.71 MAPT (0.63) CNR2CNR1SMN1; SMN2POLBLMNA

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
EP-0898569-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GmbH (DE) 1999-03-03 EP disclosed
WO-1997040038-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GMBH (DE) 1997-10-30 WO disclosed