SCHEMBL9014981

SCHEMBL9014981

C=CCc1nc2c(nc1OCCCCO)CCCC2

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.30
EHMT2 Q96KQ7 1/20 0.30

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
SCHEMBL9621040 0.90
SCHEMBL10422445 0.78 MEN1 (0.31)
SCHEMBL9621365 0.76 PTGDR (0.35)
SCHEMBL9761642 0.72 PTGS1 (0.30)
SCHEMBL9014946 0.72 ALDH1A1 (0.32)
SCHEMBL9761647 0.71 PTGS1 (0.37)
SCHEMBL9621316 0.71
SCHEMBL9014942 0.70
SCHEMBL9014778 0.69
SCHEMBL9014694 0.67 LOX (0.35) EHMT2

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-5578596-A TREATMENT OF SEROTONERGIC NEURON RELATED DISEASES, MOTION SICKNESS, ANXIXETY, DEPRESSION ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1996-11-26 US disclosed
EP-0668276-A1 2-ALKOXY-5,6,7,8-TETRAHYDROQUINOXALINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-08-23 EP disclosed