SCHEMBL9525960

SCHEMBL9525960

COC(=O)c1sccc1NC(=O)NC1CC2CCC(C1)N2C

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.69
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 2/20 0.50
PKM P14618 2/20 0.50
TSHR P16473 1/20 0.50
ATM Q13315 1/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.48

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
SCHEMBL9524435 0.85 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL10539747 0.79 KDM4E (0.69) SMN1; SMN2ALDH1A1PKMHPGDNPSR1
SCHEMBL9525624 0.78 HTR4 (0.48) MEN1KMT2AALDH1A1MAPT
SCHEMBL10542037 0.76 CYP2D6 (0.55) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL10537786 0.75 MAPT (0.67) MEN1KMT2AALDH1A1ATMMAPT
SCHEMBL10541780 0.75 CYP2D6 (0.54) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL10542205 0.75 POLB (0.60) SMN1; SMN2KMT2AALDH1A1PKMMAPT
SCHEMBL10539974 0.74 MAPT (0.56) SMN1; SMN2MEN1KMT2AALDH1A1HTT
SCHEMBL9526020 0.74 HTR4 (0.47) MEN1KMT2AALDH1A1MAPT
SCHEMBL9396711 0.72 PKM (0.67) SMN1; SMN2MEN1KMT2APKMATM

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-0255297-B1 AZABICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE BEECHAM GROUP PLC (GB) 1993-04-21 EP claimed
EP-0255297-A2 Azabicyclic compounds, process for their preparation, and their pharmaceutical use BEECHAM GROUP PLC (GB) 1988-02-03 EP claimed
EP-0255297-B1 AZABICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE BEECHAM GROUP PLC (GB) 1993-04-21 EP disclosed
US-4808588-A HEADACHES, CENTRAL NERVOUS SYSTEM DISORDERS, ANTIARRHYTHMIA ANTIEMETIC AGENTS BEECHAM GROUP, P.L.C. (GB) 1989-02-28 US disclosed