SCHEMBL10976409

SCHEMBL10976409

O=C1CN(CCCCBr)C(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
DUT P33316 3/20 0.32
EPHX2 P34913 1/20 0.30

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
SCHEMBL31683796 0.98 CYP4F2 (0.39) CRBNCYP4F2CYP4A11DUT
SCHEMBL28411762 0.94 CRBN (0.41) CRBNCYP4F2CYP4A11DUTEPHX2
SCHEMBL11257635 0.87 CRBN (0.46) CRBNCYP4F2CYP4A11DUTEPHX2
SCHEMBL4190795 0.87 CRBN (0.46) CRBNCYP4F2CYP4A11DUTEPHX2
SCHEMBL29125123 0.85 CRBN (0.44) CRBNCYP4F2CYP4A11EPHX2
SCHEMBL29125162 0.80 CYP4F2 (0.43) CRBNCYP4F2CYP4A11DUTEPHX2
SCHEMBL461664 0.80 CRBN (0.45) CRBNCYP4F2CYP4A11DUT
SCHEMBL13179851 0.80 CRBN (0.40) CRBNCYP4F2CYP4A11DUTEPHX2
SCHEMBL4751061 0.80 CRBN (0.40) CRBNCYP4F2CYP4A11DUT
SCHEMBL11531179 0.80 CRBN (0.40) CRBNCYP4F2CYP4A11DUTEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107216290-B 3-butyl-5, 5-dimethyl hydantoin imidazole quaternary ammonium salt and preparation method thereof 陕西科技大学 2021-03-16 CN claimed
CN-107216290-B 3-butyl-5, 5-dimethyl hydantoin imidazole quaternary ammonium salt and preparation method thereof 陕西科技大学 2021-03-16 CN disclosed
CN-106518771-A 3-bromobutyl-5,5-dimethylhydantoin and preparation method thereof 陕西科技大学 2017-03-22 CN disclosed
EP-0060610-B1 HEXAHYDRO-TRANS- AND TETRAHYDROPYRIDOINDOLE NEUROLEPTIC AGENTS PFIZER INC. (US) 1985-09-04 EP disclosed
US-4432978-A NEUROLEPTIC AGENTS, TRANQUILIZERS PFIZER INC. (US) 1984-02-21 US disclosed
US-4431649-A TRANQUILIZERS PFIZER INC. (US) 1984-02-14 US disclosed
US-4431646-A TRANQUILIZERS; PSYCHOSIS; NERVOUS SYSTEM DISORDERS PFIZER INC. (US) 1984-02-14 US disclosed
US-4427679-A TRANQUILIZERS; PSYCHOLOGICAL DISORDERS PFIZER INC. (US) 1984-01-24 US disclosed
EP-0060610-A1 Hexahydro-trans- and tetrahydropyridoindole neuroleptic agents PFIZER INC. (US) 1982-09-22 EP disclosed
US-4337250-A NEUROLEPTIC AGENTS PFIZER INC. (US) 1982-06-29 US disclosed
US-4100285-A VASODILATION NIPPON SHINYAKU CO., LTD. (JP) 1978-07-11 US disclosed