SCHEMBL8615836

SCHEMBL8615836

COc1ccc(OC)c2c1CCC(CN)(NCc1ccccc1)C2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
S1PR1 P21453 1/20 0.35
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
PTPN1 P18031 1/20 0.34
HTR6 P50406 1/20 0.33
ALDH1A1 P00352 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8556244 0.74 SIGMAR1 (0.41) MEN1KMT2AMAPTS1PR1TP53
SCHEMBL9954933 0.70 DPP4 (0.44) MEN1KMT2AMAPT
SCHEMBL8615518 0.69 ADRA1A (0.40) DRD2S1PR1GLAHPGDALDH1A1
SCHEMBL27777487 0.69 MMP8 (0.42) MEN1KMT2AMAPT
SCHEMBL15824244 0.69 DPP4 (0.43) KMT2AMAPTHPGDALDH1A1
SCHEMBL14999534 0.66 IDO1 (0.38) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL1586715 0.66 TACR1 (0.42) MEN1KMT2AMAPTALDH1A1
SCHEMBL5146600 0.66 DRD2 (0.71) DRD2MEN1KMT2AALDH1A1
SCHEMBL77054 0.66 IDO1 (0.41) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL9232773 0.63 CYP3A4 (0.51) MEN1KMT2ATP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0635496-B1 Benzospiroalkene derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1998-04-29 EP disclosed
US-5464859-A Alpha adrenergic antagonist ADIR ET COMPAGNIE (FR) 1995-11-07 US disclosed
EP-0635496-A2 Benzospiroalkene derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-01-25 EP disclosed