SCHEMBL8600656

SCHEMBL8600656

Fc1ncccc1CC1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.46
SLC6A4 P31645 5/20 0.45
HTR1A P08908 3/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A2 P23975 2/20 0.39
KDM1A O60341 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL2457182 0.83 HTR1A (0.37) SLC6A4HTR1AADRA2AADRA2BADRA2C
SCHEMBL2465088 0.82 SYK (0.36) HTR1AADRA2AADRA2BADRA2CKDM1A
SCHEMBL14698505 0.81 GBA1 (0.46) GBA1SLC6A4HTR1AADRA2AADRA2B
Hydrochloric Acid SCHEMBL28820807 0.78 SLC6A4 (0.47) GBA1SLC6A4JAK2JAK1TYK2
Hydrochloric Acid SCHEMBL18280150 0.77 JAK2 (0.49) GBA1SLC6A4SLC6A2JAK2JAK1
Hydrochloric Acid SCHEMBL16825185 0.77 KDM4E (0.44) GBA1SLC6A4HTR1ASLC6A2JAK2
SCHEMBL3965587 0.76 GBA1 (0.56) GBA1SLC6A4HTR1ASLC6A2KDM1A
Hydrochloric Acid SCHEMBL16825163 0.76 SLC6A4 (0.47) GBA1SLC6A4HTR1ASLC6A2JAK2
Hydrochloric Acid SCHEMBL18280161 0.76 SLC6A4 (0.44) GBA1SLC6A4HTR1ASLC6A2JAK2
SCHEMBL2465174 0.75 HTR1A (0.35) HTR1AADRA2AADRA2BADRA2CKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719166-A TREATING PSYCHOSES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1998-02-17 US disclosed
EP-0532177-B1 Methanoanthracenes as dopamine antagonists ZENECA LTD (GB) 1996-10-16 EP disclosed
US-5550136-A ANTAGONISTS OF DOPAMINE D-2 RECEPTORS ZENECA LIMITED (GB) 1996-08-27 US disclosed
US-5399568-A Dopamine antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-03-21 US disclosed
EP-0532177-A1 Methanoanthracenes as dopamine antagonists ZENECA LIMITED (GB) 1993-03-17 EP disclosed