SCHEMBL25214736

SCHEMBL25214736

OC(c1cccnc1)C1CCNC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.48
SLC6A2 P23975 15/20 0.48
SLC6A3 Q01959 9/20 0.48
CYP2D6 P10635 2/20 0.46
KCNH2 Q12809 2/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46

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
Hydrochloric Acid SCHEMBL25253136 0.98 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL8601458 0.91 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL8602800 0.91 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL8603837 0.91 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
Hydrochloric Acid SCHEMBL25255123 0.89 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL30639289 0.87 SMN1; SMN2 (0.49) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL30896272 0.82 SMN1; SMN2 (0.53) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL8795521 0.82 SMN1; SMN2 (0.53) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL3298145 0.80 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL25273902 0.79 SMN1; SMN2 (0.44) SLC6A4SLC6A2SLC6A3KCNH2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023107547-A2 AZETIDINE AND SPIROAZETIDINE COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2023107547-A2 AZETIDINE AND SPIROAZETIDINE COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed