SCHEMBL20677805

SCHEMBL20677805

c1ccc(CCCN(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.72
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
GAA P10253 2/20 0.56
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.51
AR P10275 2/20 0.51
TDP1 Q9NUW8 1/20 0.48
CHRM1 P11229 1/20 0.48
DDAH1 O94760 1/20 0.47

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 SCHEMBL710081 0.97 BCHE (0.68) BCHENPC1RAB9AGAAPOLB
SCHEMBL20677810 0.91 BCHE (0.77) BCHENPC1RAB9AGAAPOLB
SCHEMBL20677816 0.88 BCHE (0.87) BCHENPC1RAB9AGAAPOLB
SCHEMBL20677807 0.88 BCHE (0.87) BCHENPC1RAB9AGAAPOLB
SCHEMBL8201381 0.85 BCHE (1.00) BCHENPC1RAB9AGAAPOLB
Hydrochloric Acid SCHEMBL710080 0.84 BCHE (0.52) BCHENPC1RAB9AGAAPOLB
SCHEMBL707879 0.83 BCHE (0.73) BCHENPC1RAB9AGAAPOLB
SCHEMBL6753946 0.82 NPC1 (0.81) NPC1RAB9AGAAPOLBSMN1; SMN2
SCHEMBL6753967 0.82 POLB (0.83) NPC1RAB9AGAAPOLBSMN1; SMN2
SCHEMBL370724 0.81 BCHE (0.86) BCHENPC1RAB9AGAAPOLB

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
US-20250083109-A1 Polymeric Composites Having Oriented Nanopores and Methods of Making the Same UNIV YALE (US) 2025-03-13 US disclosed
US-20190030490-A1 Polymeric Composites Having Oriented Nanopores and Methods of Making the Same UNIV YALE (US) 2019-01-31 US disclosed