SCHEMBL6624263

SCHEMBL6624263

CN(C)N=CCc1c(Cl)cccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.38
TAAR1 Q96RJ0 3/20 0.36
BACE1 P56817 1/20 0.34
AKR1B1 P15121 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
GLA P06280 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ADRA2B P18089 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
SCHEMBL6624262 1.00 HTT (0.41) HTTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6623465 0.81 TAAR1 (0.42) HTTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6623467 0.81 TAAR1 (0.42) HTTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6625783 0.81 GAA (0.48) HTTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6625786 0.81 GAA (0.48) HTTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL30371825 0.79 TAAR1 (0.47) HTTSMN1; SMN2LMNATAAR1BACE1
SCHEMBL6624952 0.79 TAAR1 (0.47) HTTSMN1; SMN2LMNATAAR1BACE1
SCHEMBL6624949 0.79 TAAR1 (0.47) HTTSMN1; SMN2LMNATAAR1BACE1
SCHEMBL2116652 0.74 AKR1B1 (0.42) HTTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2116651 0.74 AKR1B1 (0.42) HTTNPC1RAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1035114-B1 Processes for the preparation of nitrogen-heterocyclic compounds TOSOH CORP (JP) 2004-11-24 EP disclosed
US-6346621-B1 INDOLE OR QUINOLINE COMPOUNDS SUBSTITUTED WITH AMINO COMPOUNDS ON NITROGEN TOSOH CORPORATION (JP) 2002-02-12 US disclosed
EP-1035114-A2 Nitrogen-heterocyclic compounds and process for production thereof TOSOH CORPORATION (JP) 2000-09-13 EP disclosed