SCHEMBL7770558

SCHEMBL7770558

CCCCCCCCCCCCCCCCN(C)c1[c]cccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.41
KCNH2 Q12809 7/20 0.39
SIGMAR1 Q99720 2/20 0.37
GPR84 Q9NQS5 2/20 0.36
NPC1 O15118 1/20 0.36
JAK2 O60674 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
ICMT O60725 1/20 0.34
ALB P02768 1/20 0.34
DRD2 P14416 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL3452063 1.00 DNM1 (0.41) DNM1KCNH2SIGMAR1GPR84NPC1
SCHEMBL8670477 1.00 DNM1 (0.41) DNM1KCNH2SIGMAR1GPR84NPC1
SCHEMBL7771807 1.00 DNM1 (0.41) DNM1KCNH2SIGMAR1GPR84NPC1
SCHEMBL8664336 0.98 DNM1 (0.38) DNM1KCNH2SIGMAR1GPR84NPC1
SCHEMBL2448855 0.93 MAPT (0.37) KCNH2SIGMAR1ALDH1A1OPRM1
SCHEMBL4722361 0.85 TP53 (0.33) KCNH2SIGMAR1DRD3
SCHEMBL9800560 0.84 KCNH2 (0.40) DNM1KCNH2SIGMAR1NPC1JAK2
SCHEMBL9800595 0.84 KCNH2 (0.40) DNM1KCNH2SIGMAR1NPC1JAK2
SCHEMBL2460597 0.84 KCNH2 (0.40) DNM1KCNH2SIGMAR1NPC1JAK2
SCHEMBL8643073 0.84 KCNH2 (0.40) DNM1KCNH2SIGMAR1NPC1JAK2

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-6248870-B1 OLIGO-2,6-PYRIMIDINE COMPLEXING AGENT. NYCOMED IMAGING AS (NO) 2001-06-19 US disclosed
WO-1999039748-A1 TARGETING IMMUNOREAGENTS USEFUL IN THERAPEUTIC AND DIAGNOSTIC COMPOSITIONS AND METHODS NYCOMED IMAGING AS (NO) 1999-08-12 WO disclosed
US-5817774-A Unsymmetrical complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions and methods STERLING WINTHROP INCORPORATION (US) 1998-10-06 US disclosed
US-5760191-A Macrocyclic complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions and methods NYCOMED IMAGING AS (NO) 1998-06-02 US disclosed
US-5559214-A Unsymmetrical complexing agents and targeting immunoreagents useful in thearpeutic and diagnostic compositions and methods STERLING WINTHROP INC. (US) 1996-09-24 US disclosed