SCHEMBL7849672

SCHEMBL7849672

COC(=O)c1scc(C)c1N=C=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 5/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 1/20 0.41
HTR1A P08908 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
GAA P10253 1/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL2920208 0.86 POLB (0.45) POLBMAPTPKMATMKDM4E
SCHEMBL10714975 0.74 ADRA2A (0.44) POLBMAPTPKMATMKDM4E
SCHEMBL14399301 0.74 ALDH1A1 (0.46) POLBMAPTPKMATMKDM4E
SCHEMBL13118438 0.74 MAPT (0.44) POLBMAPTPKMATMKDM4E
SCHEMBL167302 0.73 MAPT (0.51) POLBMAPTPKMATMKDM4E
SCHEMBL7030967 0.73 POLB (0.42) POLBMAPTPKMATMKDM4E
SCHEMBL3581664 0.72 MAPT (0.50) POLBMAPTPKMATMKDM4E
SCHEMBL23872752 0.71 CYP1A2 (0.49) POLBMAPTPKMATMKDM4E
SCHEMBL31531435 0.71 MAPT (0.47) POLBMAPTPKMATMKDM4E
SCHEMBL11773559 0.71 GABRA1 (0.36) CYP3A4

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-0805812-B1 BICYCLIC SUBSTITUTED HEXAHYDROBENZ(E)ISOINDOLE ALPHA-1- ADRENERGIC ANTAGONISTS ABBOTT LAB (US) 2001-06-13 EP disclosed
US-5792767-A TREATMENT OF BENIGN PROSTATIC HYPERTROPY ABBOTT LABORATORIES (US) 1998-08-11 US disclosed
US-5521181-A Bicyclic substituted hexahydrobenz[e]isoindole α-1 adrenergic antagonists ABBOTT LABORATORIES (US) 1996-05-28 US disclosed