SCHEMBL3833583

SCHEMBL3833583

CC(C)N1CCC(c2noc(-c3cc[c]cc3)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.55
USP7 Q93009 2/20 0.53
HTT P42858 2/20 0.49
POLB P06746 2/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
USP30 Q70CQ3 5/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PLAT P00750 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
KDM4E B2RXH2 2/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL2901525 0.85 POLB (0.60) HTR4USP7HTTPOLBCASP3
Hydrochloric Acid SCHEMBL3828123 0.84 HTR4 (0.59) HTR4USP7HTTPOLBCASP3
SCHEMBL13135846 0.84 USP7 (0.55) HTR4USP7HTTPOLBCASP3
SCHEMBL13135845 0.84 NPC1 (0.64) HTR4USP7HTTPOLBCASP3
SCHEMBL2896878 0.82 USP7 (0.54) HTR4USP7HTTPOLBCASP3
SCHEMBL2901623 0.82 USP7 (0.54) HTR4USP7HTTPOLBCASP3
SCHEMBL14276125 0.82 KMT2A (0.55) HTR4USP7HTTPOLBCASP3
SCHEMBL13135847 0.81 USP7 (0.53) HTR4USP7HTTPOLBCASP3
SCHEMBL2900452 0.81 NPC1 (0.57) HTR4USP7HTTPOLBCASP3
Hydrochloric Acid SCHEMBL3830015 0.81 USP7 (0.53) HTR4USP7HTTPOLBCASP3

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
EP-1585515-B1 PIPERIDINE AND PYRROLIDINE DERIVATIVES AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR HIGH POINT PHARMACEUTICALS LLC (US) 2009-09-16 EP claimed
EP-1585515-B1 PIPERIDINE AND PYRROLIDINE DERIVATIVES AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR HIGH POINT PHARMACEUTICALS LLC (US) 2009-09-16 EP disclosed