SCHEMBL9702939

SCHEMBL9702939

C[N+]1(OC(=O)C(=O)O[N+]2(C)CCC(c3nc(C4CC4)no3)CC2)CCC(c2nc(C3CC3)no2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
HSD11B1 P28845 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
CPT1A P50416 3/20 0.33
CPT2 P23786 2/20 0.33
SPR P35270 1/20 0.33
CNR1 P21554 1/20 0.32
F2R P25116 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA6 Q16445 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL10419845 0.85 HSD11B1 (0.39) HCRTR1HCRTR2HSD11B1CPT1ACPT2
SCHEMBL10419847 0.84 EPHX2 (0.41) HSD11B1SMYD3GABRA1GABRB2GABRA6
SCHEMBL9702691 0.79 SCN9A (0.37) GABRA1GABRB2
SCHEMBL9704984 0.75 CA1 (0.36)
SCHEMBL9703140 0.75 GABRA1 (0.37) GABRA1GABRB2GABRA6
SCHEMBL9703179 0.72 GABRA1 (0.37) GABRA1GABRB2GABRA6
SCHEMBL10419467 0.70 HSD11B1 (0.36) HSD11B1
SCHEMBL3696393 0.70 CNR1 (0.39) HCRTR1HCRTR2HSD11B1SMYD3SPR
SCHEMBL18711263 0.70 SMO (0.45) HCRTR1HCRTR2HSD11B1SMYD3SPR
Oxalic Acid SCHEMBL9702934 0.69 USP7 (0.49) HCRTR1HCRTR2HSD11B1CPT1ACPT2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0259621-B1 PIPERIDINE COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-11-25 EP disclosed
US-4933353-A ALZHEIMER*S DISEASE A/S FERROSAN (DE) 1990-06-12 US disclosed
US-4837241-A TREATMENT OF ALZEHEIMER*S DISEASE A/S FERROSAN (DK) 1989-06-06 US disclosed
EP-0259621-A2 Piperidine compounds and their preparation and use NOVO NORDISK A/S (DK) 1988-03-16 EP disclosed