SCHEMBL11510673

SCHEMBL11510673

CCCCCCCCc1cc(Cc2ccc(N)c(CCCCCCCC)c2)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.47
HTR2A P28223 1/20 0.47
TLR8 Q9NR97 8/20 0.43
CYP3A4 P08684 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ESR1 P03372 2/20 0.43
ADRA2A P08913 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
TACR2 P21452 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
TP53 P04637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.43
SHBG P04278 1/20 0.43
HSPD1 P10809 1/20 0.43
ADRB3 P13945 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL5382000 1.00 SKP2 (0.47) SKP2HTR2ATLR8CYP3A4ALDH1A1
SCHEMBL5372549 0.98 SKP2 (0.49) SKP2HTR2ATLR8CYP3A4ALDH1A1
SCHEMBL8094486 0.95 HTR2A (0.51) SKP2HTR2ATLR8CYP3A4ALDH1A1
SCHEMBL8100500 0.95 HTR2A (0.51) SKP2HTR2ATLR8CYP3A4ALDH1A1
SCHEMBL8086520 0.95 HTR2A (0.51) SKP2HTR2ATLR8CYP3A4ALDH1A1
SCHEMBL8094156 0.95 HTR2A (0.51) SKP2HTR2ATLR8CYP3A4ALDH1A1
SCHEMBL8093788 0.95 HTR2A (0.51) SKP2HTR2ATLR8CYP3A4ALDH1A1
SCHEMBL8101948 0.95 HTR2A (0.51) SKP2HTR2ATLR8CYP3A4ALDH1A1
SCHEMBL8101711 0.95 HTR2A (0.51) SKP2HTR2ATLR8CYP3A4ALDH1A1
SCHEMBL8101341 0.95 HTR2A (0.51) SKP2HTR2ATLR8CYP3A4ALDH1A1

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-4144027-A SHRINKPROOFING KERATIN-CONTAINING FABRICS BY REACTION WITH A POLYETHER POLYOL AND A DIISOCYANATE MILLIKEN RESEARCH CORPORATION (US) 1979-03-13 US disclosed