SCHEMBL9268126

SCHEMBL9268126

CCN(CC)CCNC(=O)c1ccc2[nH]cc(CCCCCl)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
MPO P05164 2/20 0.49
HSD17B10 Q99714 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HTR1D P28221 1/20 0.48
SNCA P37840 9/20 0.48
GFER P55789 1/20 0.47
LMNA P02545 2/20 0.46
ACHE P22303 2/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC22A2 O15244 1/20 0.46
SLC22A1 O15245 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL9261940 0.84 KMT2A (0.57) KMT2APOLBHSD17B10SNCAGFER
SCHEMBL8537746 0.83 FAAH (0.54) HTR1D
SCHEMBL9265034 0.79 PARP1 (0.51) KMT2AMPOHTR1DALDH1A1
SCHEMBL9263285 0.78 PARP1 (0.52) KMT2AMPOCYP1A2CYP2D6CYP2C9
SCHEMBL9264670 0.78 SNCA (0.58) KMT2AHTR1DSNCAACHEMAPK1
SCHEMBL9264578 0.77 ADRA2A (0.70)
SCHEMBL8557448 0.77 GPR84 (0.62) KMT2APOLBHSD17B10CYP1A2HTR1D
SCHEMBL9257648 0.76 HTR7 (0.68) KMT2AMPOHSD17B10CYP1A2CYP2D6
SCHEMBL8555452 0.75 HTR7 (0.71) KMT2AMPOHSD17B10CYP1A2CYP2D6
SCHEMBL9097064 0.75 HSD17B10 (0.56) KMT2APOLBMPOHSD17B10CYP1A2

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-5418237-A Indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-05-23 US disclosed