SCHEMBL7305065

SCHEMBL7305065

COc1ccc2nc(N3CCN(C)CC3)oc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.50
GABRD O14764 3/20 0.50
GABRA1 P14867 3/20 0.50
GABRB1 P18505 3/20 0.50
GABRG2 P18507 3/20 0.50
GABRB3 P28472 3/20 0.50
GABRA5 P31644 3/20 0.50
GABRA3 P34903 3/20 0.50
GABRA2 P47869 3/20 0.50
GABRB2 P47870 3/20 0.50
GABRA4 P48169 3/20 0.50
GABRE P78334 3/20 0.50
GABRA6 Q16445 3/20 0.50
GABRG1 Q8N1C3 3/20 0.50
GABRG3 Q99928 3/20 0.50
GABRQ Q9UN88 3/20 0.50
CCR4 P51679 1/20 0.49
HRH4 Q9H3N8 2/20 0.47
FAAH O00519 1/20 0.46
KDM1A O60341 1/20 0.46

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
SCHEMBL6497999 0.89 FAAH (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21814836 0.86 KDM4E (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8735552 0.86 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6489640 0.82 NPC1 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21814901 0.81 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6488065 0.80
SCHEMBL24095191 0.79 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21814914 0.79 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22393421 0.79 HRH4 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6499744 0.78 HTR6 (0.48) HRH4FAAHPRKDCLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0621271-B1 Benzoxazole derivatives and their use as serotonin 5-HT3 receptor antagonists MEIJI SEIKA KAISHA (JP) 2001-10-17 EP disclosed
US-5631257-A ANTISEROTONIN AGENTS FOR TREATMENT OF NAUSEA AND ANTIEMETICS MEIJI SEIKA KAISHA, LTD. (JP) 1997-05-20 US disclosed
EP-0621271-A1 Benzoxazole derivatives and their use as serotonin 5-HT3 receptor antagonists MEIJI SEIKA KAISHA LTD. (JP) 1994-10-26 EP disclosed