SCHEMBL8926631

SCHEMBL8926631

CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1N2C(=O)c1ccccc1OCCCCCOc1ccccc1C(=O)N1c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 7/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NR1I2 O75469 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 2/20 0.40
MCL1 Q07820 1/20 0.40
CACNA1H O95180 1/20 0.39
CACNA1B Q00975 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
P2RX4 Q99571 1/20 0.38

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
SCHEMBL13138312 0.81 CACNA1B (0.55) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL7007991 0.78 P2RX4 (0.56) MAPTMEN1KMT2AALDH1A1CACNA1H
SCHEMBL29435150 0.78 P2RX4 (0.56) MAPTMEN1KMT2AALDH1A1CACNA1H
SCHEMBL8926804 0.77 CACNA1B (0.52) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL8926075 0.77 CACNA1B (0.52) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL10617141 0.75 P2RX4 (0.63) MAPTMEN1KMT2ACACNA1HCACNA1B
SCHEMBL9009797 0.74 MAPT (0.48) MAPTHTTLMNAMEN1KMT2A
SCHEMBL8926849 0.73 CACNA1B (0.52) MEN1KMT2ANR1I2ALDH1A1CACNA1H
SCHEMBL10485311 0.73 P2RX4 (0.54) MAPTHTTLMNAMEN1KMT2A
SCHEMBL9354682 0.73 P2RX4 (0.49) MAPTMEN1KMT2AALDH1A1CACNA1H

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
US-5663042-A LIGHT AND HEAT SENSITIVE SILVER HALIDE ELEMENNTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-09-02 US disclosed
EP-0681210-A1 Novel developing agents for (photo) thermographic systems MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-11-08 EP disclosed