SCHEMBL9014689

SCHEMBL9014689

COc1cc(C)nc(N2CCN(CCCCOc3cnc4c(n3)CCCC4)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.47

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
SCHEMBL9014676 0.95 HTR1A (0.47) HTR1A
SCHEMBL9014715 0.94 HTR1A (0.43) HTR1A
SCHEMBL9014823 0.84 HRH3 (0.43) HTR1A
SCHEMBL9014678 0.82 KCNH2 (0.40) HTR1A
SCHEMBL9014893 0.81 HRH3 (0.50) HTR1A
SCHEMBL9014904 0.80 HRH3 (0.49) HTR1A
SCHEMBL9014817 0.79 HTR1A (0.52) HTR1A
SCHEMBL9405327 0.78 KCNH2 (0.62) HTR1A
SCHEMBL9014892 0.78 KCNH2 (0.56) HTR1A
SCHEMBL9014880 0.78 HTR1A (0.39) HTR1A

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