SCHEMBL8940359

SCHEMBL8940359

O=C(CCCO)c1cnccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
NAPRT Q6XQN6 1/20 0.52
HCAR2 Q8TDS4 1/20 0.52
TSHR P16473 2/20 0.50
ADORA3 P0DMS8 1/20 0.50
MC4R P32245 1/20 0.50
ADRA1A P35348 1/20 0.50
MC3R P41968 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 1/20 0.43
CYP1A2 P05177 2/20 0.42
HPGD P15428 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40

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
SCHEMBL17709388 0.85 KDM4E (0.52) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL6847640 0.84 KDM4E (0.47) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL1587494 0.82 KDM4E (0.48) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL28801662 0.82 KDM4E (0.59) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL13518336 0.80 KDM4E (0.46) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL9946197 0.79 KDM4E (0.53) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL26673244 0.78 TSHR (0.60) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL6847570 0.77 KDM4E (0.50) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL13562637 0.77 POLB (0.47) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL28134806 0.77 TSHR (0.46) KDM4ENAPRTHCAR2TSHRADORA3

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-5521196-A ANALGESICS USING SEROTONIN ANTAGONIST ELI LILLY AND COMPANY (US) 1996-05-28 US disclosed