SCHEMBL30423355

SCHEMBL30423355

C1=NCc2cnccc21.[N]

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CTSD P07339 1/20 0.32
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30

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
SCHEMBL277412 0.98
SCHEMBL31550503 0.98
Bromide SCHEMBL28518015 0.96 SIGMAR1 (0.40) SIGMAR1CHRNB2CHRNA4CTSDPDE3B
Hydrochloric Acid SCHEMBL28011824 0.96 SIGMAR1 (0.40) SIGMAR1CHRNB2CHRNA4CTSDPDE3B
SCHEMBL2853230 0.80
SCHEMBL29704485 0.80
SCHEMBL27943278 0.78
Iodide SCHEMBL27382621 0.78 SIGMAR1 (0.40) SIGMAR1CHRNB2CHRNA4PDE3BPDE3A
SCHEMBL31281120 0.77
SCHEMBL31326617 0.77 SIGMAR1 (0.43) SIGMAR1CHRNB2CHRNA4CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230082237-A1 HETEROELEMENT-DOPED HIGH-GRAPHITE POROUS CARBON BODY, CATALYST COMPRISING SAME, AND METHOD FOR PRODUCING SAME DAEGU GYEONGBUK INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-03-16 US disclosed