SCHEMBL9064486

SCHEMBL9064486

C[N+]1(c2ccccc2)CCC(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C1 Q04828 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
NOTUM Q6P988 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
RGS12 O14924 1/20 0.37
CYP3A4 P08684 1/20 0.37
KCNH2 Q12809 1/20 0.37
LMNA P02545 2/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
THRB P10828 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
BLM P54132 2/20 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
SCHEMBL7717666 0.71 RAB9A (0.37) RAB9ANPC1AKR1C3AKR1C1L3MBTL1
SCHEMBL24896549 0.71 PMP22 (0.44) KMT2AMEN1LMNACHRM2CHRM4
SCHEMBL5281905 0.71 APOBEC3A (0.37) KMT2AMEN1POLBRGS12CYP3A4
Toluene SCHEMBL28973336 0.70 RAB9A (0.53) RAB9ANPC1AKR1C3AKR1C1L3MBTL1
Toluene SCHEMBL28973335 0.70 RAB9A (0.53) RAB9ANPC1AKR1C3AKR1C1L3MBTL1
Biphenyl SCHEMBL7611759 0.69 RAB9A (0.74) RAB9ANPC1AKR1C3AKR1C1L3MBTL1
Iodide SCHEMBL29262460 0.69 PMP22 (0.42) KMT2AMEN1LMNACHRM2CHRM4
SCHEMBL30919456 0.69 PMP22 (0.42) KMT2AMEN1LMNACHRM2CHRM4
Biphenyl SCHEMBL11881576 0.69 RAB9A (0.74) RAB9ANPC1AKR1C3AKR1C1L3MBTL1
SCHEMBL5944513 0.69 APOBEC3A (0.40) KMT2AMEN1POLBRGS12CYP3A4

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-0506778-B1 SUBSTITUTED 4-PHENYL-4-PIPERIDINECARBOXAMIDES WITH BOTH LOCAL ANAESTHETIC AND ANALGESIC EFFECT AS WELL AS PROCESSES FOR THEIR PREPARATION ASTRA AB (SE) 1996-05-29 EP disclosed
WO-1991009845-A1 SUBSTITUTED 4-PHENYL-4-PIPERIDINECARBOXAMIDES WITH BOTH LOCAL ANAESTHETIC AND ANALGESIC EFFECT AS WELL AS PROCESSES FOR THEIR PREPARATION AKTIEBOLAGET ASTRA (SE) 1991-07-11 WO disclosed