SCHEMBL9094482

SCHEMBL9094482

CCC(C)CN1CC[C@@H](c2ccsc2)[C@H](COc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
DRD2 P14416 1/20 0.36
FFAR1 O14842 6/20 0.36
GRM2 Q14416 1/20 0.35
SCN1A P35498 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
LTA4H P09960 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL9093955 1.00 HRH3 (0.38) HRH3DRD2FFAR1GRM2SCN1A
SCHEMBL9093897 1.00 HRH3 (0.38) HRH3DRD2FFAR1GRM2SCN1A
SCHEMBL9095192 0.90 SLC6A5 (0.36) HRH3SCN1ASCN5ASCN9AHTR1A
SCHEMBL9096243 0.88 HRH3 (0.41) HRH3DRD2FFAR1GRM2POLB
SCHEMBL9654252 0.88 CHRNB4 (0.41) HRH3DRD2FFAR1L3MBTL1HTR1A
SCHEMBL9094570 0.85 DRD2 (0.40) HRH3DRD2HTR1AHTR7SLC6A4
SCHEMBL9095130 0.85 DRD2 (0.40) HRH3DRD2HTR1AHTR7SLC6A4
SCHEMBL9094038 0.85 DRD2 (0.40) HRH3DRD2HTR1AHTR7SLC6A4
SCHEMBL9093992 0.85 EPHX2 (0.34) HRH3HTR1A
SCHEMBL9654508 0.85 HRH3 (0.41) HRH3FFAR1GRM2POLBL3MBTL1

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-0505465-B1 4-Heterocyclyl-piperidine derivatives, their preparation and their use as inhibitors of calcium overload in brain cells NOVO NORDISK AS (DK) 1996-03-20 EP claimed
US-5102894-A Antihyporic, antiischemic, antiepileptic agents NOVO NORDISK A/S (DK) 1992-04-07 US disclosed