SCHEMBL9680108

SCHEMBL9680108

BrCCCCCCCN1CCCCC1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.75
SIGMAR1 Q99720 2/20 0.47
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CXCR4 P61073 1/20 0.43
ALDH1A1 P00352 2/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL31518833 1.00 HRH3 (0.75) HRH3SIGMAR1MAPTCYP1A2MAPK1
SCHEMBL9678968 1.00 HRH3 (0.75) HRH3SIGMAR1MAPTCYP1A2MAPK1
SCHEMBL9677945 1.00 HRH3 (0.75) HRH3SIGMAR1MAPTCYP1A2MAPK1
SCHEMBL27973822 1.00 HRH3 (0.75) HRH3SIGMAR1MAPTCYP1A2MAPK1
Bromide SCHEMBL22664299 0.98 HRH3 (0.71) HRH3SIGMAR1MAPTCYP1A2MAPK1
SCHEMBL15743639 0.97 HRH3 (0.70) HRH3SIGMAR1MAPTCYP1A2MAPK1
SCHEMBL27885747 0.97 HRH3 (0.70) HRH3SIGMAR1MAPTCYP1A2MAPK1
SCHEMBL9680104 0.97 HRH3 (0.70) HRH3SIGMAR1MAPTCYP1A2MAPK1
SCHEMBL27008290 0.95 HRH3 (0.65) HRH3SIGMAR1MAPTCYP1A2MAPK1
Bromide SCHEMBL4670073 0.92 HRH3 (0.62) HRH3SIGMAR1MAPTCYP1A2MAPK1

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-0344543-B1 CONDENSED DIAZEPINONES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1992-07-22 EP disclosed
US-5006522-A Vagal pacemaker for treatment of bradycardia or radyarrhythmia KARL THOMAE GMBH (DE) 1991-04-09 US disclosed
EP-0344543-A2 Condensed diazepinones, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1989-12-06 EP disclosed