SCHEMBL10554153

SCHEMBL10554153

CCC(C)N1CCN(Cc2ccccc2)CCN1C(C)CC

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.62
KDM4E B2RXH2 3/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
MC4R P32245 1/20 0.58
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
PKM P14618 1/20 0.54
HTT P42858 1/20 0.54
DRD4 P21917 1/20 0.51
ACHE P22303 1/20 0.50
CYP3A4 P08684 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL13638129 0.86 KMT2A (0.71) SIGMAR1KDM4EKMT2AMEN1MC4R
SCHEMBL28851969 0.80 KDM4E (0.59) SIGMAR1KDM4EKMT2AMEN1MC4R
SCHEMBL242970 0.79 SIGMAR1 (1.00) SIGMAR1KMT2AMC4RLMNAPOLB
SCHEMBL1041303 0.79 SIGMAR1 (1.00) SIGMAR1KMT2AMC4RLMNAPOLB
SCHEMBL576868 0.79 SIGMAR1 (1.00) SIGMAR1KMT2AMC4RLMNAPOLB
SCHEMBL1415730 0.79 SIGMAR1 (1.00) SIGMAR1KMT2AMC4RLMNAPOLB
SCHEMBL8188324 0.79 SIGMAR1 (1.00) SIGMAR1KMT2AMC4RLMNAPOLB
SCHEMBL2489199 0.79 SIGMAR1 (1.00) SIGMAR1KMT2AMC4RLMNAPOLB
SCHEMBL6661493 0.77 SIGMAR1 (0.78) SIGMAR1KDM4EKMT2AMEN1MC4R
SCHEMBL1045589 0.77 SIGMAR1 (0.78) SIGMAR1KDM4EKMT2AMEN1MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4801706-A ANTIARRHYTHMIA HYPOTENSIVE AMERICAN HOME PRODUCTS CORPORATION (US) 1989-01-31 US disclosed