SCHEMBL6957907

SCHEMBL6957907

CN1[C@@H]2C[C@@H](N)C[C@H]1CN(Cc1ccccc1)C2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.47
MC4R P32245 1/20 0.46
SIGMAR1 Q99720 1/20 0.44
ACHE P22303 1/20 0.44
OPRM1 P35372 1/20 0.43
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
DPP4 P27487 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GBA1 P04062 1/20 0.41

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
SCHEMBL4737149 1.00 FUCA1 (0.47) FUCA1MC4RSIGMAR1ACHEOPRM1
SCHEMBL18713027 0.90 FUCA1 (0.53) FUCA1MC4RSIGMAR1ACHEOPRM1
SCHEMBL1022483 0.83 OPRM1 (0.54) FUCA1MC4RSIGMAR1ACHEOPRM1
SCHEMBL6959368 0.81 FUCA1 (0.47) FUCA1MC4RSIGMAR1ACHEOPRM1
SCHEMBL1022425 0.80 FUCA1 (0.50) FUCA1MC4RSIGMAR1ACHEOPRM1
Hydrochloric Acid SCHEMBL11776272 0.80 OPRM1 (0.51) FUCA1MC4RSIGMAR1ACHEOPRM1
SCHEMBL1449589 0.80 FUCA1 (0.50) FUCA1MC4RSIGMAR1ACHEOPRM1
SCHEMBL20936788 0.80 FUCA1 (0.53) FUCA1SIGMAR1ACHES1PR1S1PR5
SCHEMBL20937473 0.80 FUCA1 (0.53) FUCA1SIGMAR1ACHES1PR1S1PR5
SCHEMBL17304830 0.79 FUCA1 (0.56) FUCA1SIGMAR1ACHES1PR1S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0550550-A1 3,9-DIAZABICYCLO (3.3.1) NONAN-7-YL DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Beecham Group p.l.c. (GB) 1993-07-14 EP claimed
WO-1992005174-A1 3,9-DIAZABICYCLO (3.3.1) NONAN-7-YL DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1992-04-02 WO claimed
EP-0550550-B1 3,9-DIAZABICYCLO (3.3.1) NONAN-7-YL DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 2003-07-16 EP disclosed
EP-0558923-B1 Diazabicyclo derivatives as 5-HT3 antagonists NISSHIN FLOUR MILLING CO (JP) 2000-05-24 EP disclosed
US-5344831-A Antiemetics for treatment of nausea from chemotherapy NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-09-06 US disclosed
EP-0558923-A1 Diazabicyclo derivatives as 5-HT3 antagonists NISSHIN FLOUR MILLING CO., LTD. (JP) 1993-09-08 EP disclosed
EP-0550550-A1 3,9-DIAZABICYCLO (3.3.1) NONAN-7-YL DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Beecham Group p.l.c. (GB) 1993-07-14 EP disclosed
WO-1993007147-A1 3,9-DIAZABICYCLO(3.3.1)NONANE DERIVATIVES WITH 5-HT3 RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1993-04-15 WO disclosed
WO-1992005174-A1 3,9-DIAZABICYCLO (3.3.1) NONAN-7-YL DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1992-04-02 WO disclosed