SCHEMBL8601458

SCHEMBL8601458

O[C@@H](c1cccnc1)C1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.53
SLC6A2 P23975 16/20 0.53
SLC6A3 Q01959 7/20 0.53
CYP2D6 P10635 1/20 0.51
KCNH2 Q12809 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.46
KDM1A O60341 1/20 0.43

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
SCHEMBL8602800 1.00 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL8603837 1.00 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
Hydrochloric Acid SCHEMBL25255123 0.98 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL25214736 0.91 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
Hydrochloric Acid SCHEMBL25253136 0.89 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL8795521 0.88 SMN1; SMN2 (0.53) SLC6A4SLC6A2SLC6A3CYP2D6SMN1; SMN2
SCHEMBL30896272 0.88 SMN1; SMN2 (0.53) SLC6A4SLC6A2SLC6A3CYP2D6SMN1; SMN2
SCHEMBL3298145 0.85 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL30639289 0.83 SMN1; SMN2 (0.49) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL25223396 0.81 SMN1; SMN2 (0.41) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2

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