SCHEMBL4575002

SCHEMBL4575002

O=C1CCCN1CCCCCl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 7/20 0.49
ADRA1A P35348 3/20 0.49
PIK3CD O00329 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ADRA1D P25100 1/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 1/20 0.42
CYP2C9 P11712 1/20 0.42
CHRM3 P20309 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL17219124 0.98 ADRA1B (0.48) ADRA1BADRA1APIK3CDKMT2AMEN1
SCHEMBL2814030 0.94 L3MBTL1 (0.46) ADRA1BADRA1APIK3CDKMT2AMEN1
SCHEMBL2493043 0.94 PIK3CD (0.47) ADRA1BADRA1APIK3CDKMT2AMEN1
SCHEMBL10975726 0.92 L3MBTL1 (0.49) ADRA1BADRA1APIK3CDKMT2AMEN1
SCHEMBL10974389 0.92 L3MBTL1 (0.45) ADRA1BADRA1APIK3CDKMT2AMEN1
SCHEMBL3943706 0.88 L3MBTL1 (0.47) ADRA1BADRA1APIK3CDKMT2AMEN1
SCHEMBL989008 0.87 PIK3CD (0.52) ADRA1BADRA1APIK3CDKMT2AMEN1
SCHEMBL31632694 0.87 PIK3CD (0.52) ADRA1BADRA1APIK3CDKMT2AMEN1
SCHEMBL19514132 0.87 PIK3CD (0.52) ADRA1BADRA1APIK3CDKMT2AMEN1
SCHEMBL5697292 0.87 PIK3CD (0.52) ADRA1BADRA1APIK3CDKMT2AMEN1

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
WO-2013001498-A1 AMIDOALKYLPIPERAZINYL DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES ADAMED SP. Z O.O. (PL) 2013-01-03 WO disclosed
WO-2008047883-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-24 WO 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