SCHEMBL7994191

SCHEMBL7994191

CCc1cccc2c(CCC(N)OC(=O)/C=C/C(=O)OC(N)CCc3c[nH]c4c(CC)cccc34)c[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HTT P42858 3/20 0.44
MAPT P10636 6/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MPO P05164 3/20 0.40
MAPK1 P28482 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HTR2A P28223 2/20 0.39

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
SCHEMBL7997354 0.74 GPR84 (0.48) LMNAALDH1A1KMT2AMPOHTR2A
SCHEMBL7994177 0.74 GPR84 (0.48) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7997990 0.73 HTR2A (0.57) ALDH1A1MAPTMEN1KMT2AMPO
SCHEMBL7995675 0.73 HTR2A (0.57) ALDH1A1MAPTMEN1KMT2AMPO
SCHEMBL8001578 0.73 HTR2A (0.57) ALDH1A1MAPTMEN1KMT2AMPO
SCHEMBL4803022 0.72 HTT (0.55) LMNAALDH1A1HTTMAPTMEN1
SCHEMBL7993961 0.72 HTR2A (0.53) MPOHSD17B10MTNR1AMTNR1BHTR2A
SCHEMBL7997830 0.72 HTR2A (0.53) LMNAMEN1KMT2AMPOHPGD
SCHEMBL7998078 0.72 GPR84 (0.48) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7997361 0.72 HTR2A (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E

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
WO-2001040183-A1 1-AMINOALKYL-1H-INDOLES FOR TREATING GLAUCOMA ALCON UNIVERSAL LTD. (CH) 2001-06-07 WO disclosed