SCHEMBL9114448

SCHEMBL9114448

CCCCCCN(CCN)N(CCN)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.44
NPC1 O15118 1/20 0.43
JAK2 O60674 1/20 0.43
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
DRD2 P14416 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
TACR1 P25103 1/20 0.37
CNR2 P34972 2/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL4186050 0.81 BCHE (0.44) KCNH2NPC1JAK2RAB9APAX8
Hydrochloric Acid SCHEMBL28315641 0.78 KCNH2 (0.47) KCNH2NPC1JAK2RAB9APAX8
SCHEMBL10939293 0.75 ADRA2C (0.41) KCNH2CARM1PRMT6PRMT8SIGMAR1
Butylamine SCHEMBL28097796 0.75 NPC1 (0.46) KCNH2NPC1JAK2RAB9APAX8
SCHEMBL11812654 0.75 NPC1 (0.46) KCNH2NPC1JAK2RAB9APAX8
SCHEMBL11806521 0.75 NPC1 (0.46) KCNH2NPC1JAK2RAB9APAX8
SCHEMBL27529681 0.73 NPC1 (0.47) KCNH2NPC1JAK2RAB9APAX8
SCHEMBL9415950 0.72 KCNH2 (0.57) KCNH2CARM1PRMT6PRMT8DRD2
SCHEMBL9415938 0.72 KCNH2 (0.57) KCNH2CARM1PRMT6PRMT8DRD2
SCHEMBL9415960 0.72 KCNH2 (0.57) KCNH2CARM1PRMT6PRMT8DRD2

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-0674504-A1 METHOD AND APPARATUS FOR SUNLESS TANNING. SCHERING PLOUGH HEALTHCARE (US) 1995-10-04 EP disclosed
WO-1994013258-A1 METHOD AND APPARATUS FOR SUNLESS TANNING SCHERING-PLOUGH HEALTHCARE PRODUCTS, INC. (US) 1994-06-23 WO disclosed