SCHEMBL17001671

SCHEMBL17001671

CN1CCC(C2CCCN2C(=O)OCCF)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.36
▸ DPP7 Q9UHL4 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL3 Q96JM7 1/20 0.34
▸ HSD11B1 P28845 2/20 0.33
▸ SLC6A3 Q01959 1/20 0.32
▸ RIPK1 Q13546 1/20 0.32
▸ PREP P48147 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ GNAI3 P08754 1/20 0.31
▸ GNAO1 P09471 1/20 0.31
▸ GNAI1 P63096 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
SCHEMBL18382073 1.00 RAB9A (0.36) RAB9ADPP7NPC1SMN1; SMN2POLB
SCHEMBL20310809 0.86 L3MBTL3 (0.37) RAB9ADPP7NPC1SMN1; SMN2POLB
SCHEMBL17001687 0.86 L3MBTL3 (0.37) RAB9ADPP7NPC1SMN1; SMN2POLB
SCHEMBL17001672 0.85 RAB9A (0.39) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL17001686 0.84 RAB9A (0.36) RAB9ADPP7NPC1SMN1; SMN2POLB
SCHEMBL17001666 0.84 BCHE (0.38) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL18382128 0.82 HCRTR2 (0.39) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL17001685 0.79 NPC1 (0.43) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL17001676 0.79 NPC1 (0.43) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL17001662 0.79 NPC1 (0.43) RAB9ANPC1SMN1; SMN2POLBTDP1

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-2015118342-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AGONISTS. HEPTARES THERAPEUTICS LIMITED (GB) 2015-08-13 — — WO disclosed
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