SCHEMBL18536735

SCHEMBL18536735

O=C(CCc1cnc[nH]1)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.57
HRH4 Q9H3N8 1/20 0.57
TAAR1 Q96RJ0 1/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL27303234 0.78 HRH3 (0.50) HRH3HRH4
SCHEMBL304176 0.77 TDP1 (0.78) KMT2A
SCHEMBL18381285 0.76 TBXAS1 (0.62) HRH3HRH4
SCHEMBL13061496 0.76 LTA4H (0.62)
SCHEMBL713213 0.76 LTA4H (0.62)
Proxyfan SCHEMBL29462311 0.76 HRH3 (0.87) HRH3HRH4
SCHEMBL15875499 0.76 L3MBTL1 (0.42) HRH3HRH4MEN1KMT2A
SCHEMBL304802 0.75 TDP1 (0.60) KMT2A
Ammonia Solution, Strong SCHEMBL28588274 0.75 TDP1 (0.75) KMT2A
Bicarbonate SCHEMBL7699565 0.75 TDP1 (0.75) KMT2A

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
EP-2943494-B1 PYRIDO- OR PYRROLO-FUSED PYRIMIDINE DERIVATIVES AS AUTOTAXIN INHIBITORS FOR TREATING PAIN LILLY CO ELI (US) 2017-02-22 EP disclosed