SCHEMBL5726192

SCHEMBL5726192

OC(CCCCl)(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 15/20 0.55
CHRM3 P20309 15/20 0.55
CHRM5 P08912 14/20 0.55
CHRM2 P08172 14/20 0.55
CHRM1 P11229 14/20 0.55
SIGMAR1 Q99720 2/20 0.53
BCL2 P10415 1/20 0.53
HTR1A P08908 2/20 0.51
CYP2D6 P10635 2/20 0.51
OPRM1 P35372 2/20 0.51
KCNH2 Q12809 2/20 0.51
KDM4E B2RXH2 1/20 0.51
DRD2 P14416 1/20 0.51
DRD1 P21728 1/20 0.51
HTR2A P28223 1/20 0.51
DRD3 P35462 1/20 0.51
SCN1A P35498 1/20 0.51
SCN2A Q99250 1/20 0.51
SCN3A Q9NY46 1/20 0.51
LMNA P02545 2/20 0.50

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
SCHEMBL11868000 0.89 BCL2 (0.49) CHRM4CHRM3CHRM5CHRM2CHRM1
SCHEMBL8073736 0.86 SMN1; SMN2 (0.53) CHRM4CHRM3CHRM5CHRM2CHRM1
SCHEMBL4431781 0.86 SIGMAR1 (0.66) CHRM4CHRM3CHRM5CHRM2CHRM1
SCHEMBL28248374 0.82 KIF11 (0.61) CHRM4CHRM3CHRM5CHRM2CHRM1
SCHEMBL560935 0.81 SMN1; SMN2 (0.61) CHRM4CHRM3CHRM5CHRM2CHRM1
SCHEMBL2006125 0.80 CHRM4 (0.56) CHRM4CHRM3CHRM5CHRM2CHRM1
SCHEMBL11836940 0.79 CYP3A4 (0.44) CHRM4CHRM3CHRM5CHRM2CHRM1
SCHEMBL11575079 0.78 KIF11 (0.69) CHRM4CHRM3CHRM5CHRM2CHRM1
SCHEMBL5159643 0.78 SIGMAR1 (0.62) CHRM4CHRM3CHRM5CHRM2CHRM1
SCHEMBL6048472 0.78 SIGMAR1 (0.58) CHRM4CHRM3CHRM5CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0812318-B1 4-AMINOTETRAHYDROBENZISOXAZOLE OR -ISOTHIAZOLE COMPOUNDS LUNDBECK & CO AS H (DK) 2006-02-08 EP disclosed
US-6174909-B1 FOR TREATING ANALGESIA, PSYCHOSIS, CONVULSIONS, EPILEPSY, ANXIETY, MUSCULAR AND MOVEMENT DISORDERS, SPASTIC DISORDERS OR SYMPTOMS OF HUNTINGTON'S OR PARKINSONS DISEASE H. LUNDBECK A/S (DK) 2001-01-16 US disclosed
US-5998613-A PSYCHOLOGICAL DISORDERS; ANALGESICS; ANTICONVULSANTS H. LUNDBECK A/S (DK) 1999-12-07 US disclosed
EP-0812318-A1 4-AMINOTETRAHYDROBENZISOXAZOLE OR -ISOTHIAZOLE COMPOUNDS H. LUNDBECK A/S (DK) 1997-12-17 EP disclosed
WO-1996026929-A1 4-AMINOTETRAHYDROBENZISOXAZOLE OR -ISOTHIAZOLE COMPOUNDS H. LUNDBECK A/S (DK) 1996-09-06 WO disclosed
US-4031101-A ANTIARRHYTHMIA AGENT PARKE, DAVIS & COMPANY (US) 1977-06-21 US disclosed