SCHEMBL8925573

SCHEMBL8925573

CCCCCOc1ccc2[nH]cc(C3=CCNCC3)c2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 8/20 0.69
MAPT P10636 5/20 0.69
KDM4E B2RXH2 4/20 0.69
ALDH1A1 P00352 3/20 0.69
HSD17B10 Q99714 3/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
CYP1A2 P05177 3/20 0.69
CYP3A4 P08684 3/20 0.69
MAPK1 P28482 3/20 0.69
HTR6 P50406 2/20 0.69
HTR2C P28335 2/20 0.69
BRCA1 P38398 1/20 0.69
JAK2 O60674 1/20 0.55
PRKD3 O94806 1/20 0.55
MARK3 P27448 1/20 0.55
PRKCI P41743 1/20 0.55
PRKCD Q05655 1/20 0.55
CAMK2B Q13554 1/20 0.55
CAMK2G Q13555 1/20 0.55

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
Ru-24969 SCHEMBL2359264 0.82 HTR6 (1.00) HTR1DMAPTKDM4EALDH1A1HSD17B10
Ru-24969 SCHEMBL29390076 0.82 HTR6 (1.00) HTR1DMAPTKDM4EALDH1A1HSD17B10
SCHEMBL5705100 0.80 KDM4E (0.66) HTR1DMAPTKDM4EALDH1A1HSD17B10
SCHEMBL8125400 0.79 KDM4E (0.58) HTR1DMAPTKDM4EALDH1A1HSD17B10
SCHEMBL30909308 0.78 KDM4E (0.53) HTR1DMAPTKDM4EALDH1A1HSD17B10
SCHEMBL7485622 0.78 KDM4E (0.53) HTR1DMAPTKDM4EALDH1A1HSD17B10
SCHEMBL16801767 0.77 KDM4E (0.56) HTR1DMAPTKDM4EALDH1A1HSD17B10
Ru-24969 SCHEMBL29550112 0.76 HTR6 (0.81) HTR1DMAPTKDM4EALDH1A1HSD17B10
SCHEMBL6541377 0.76 HTR2C (0.47) KDM4EALDH1A1CYP1A2CYP3A4HTR2C
SCHEMBL6631651 0.76 KDM4E (0.70) HTR1DMAPTKDM4EALDH1A1HSD17B10

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-5639752-A SEROTONIN AGONIST PFIZER INC (US) 1997-06-17 US disclosed