SCHEMBL8917204

SCHEMBL8917204

Fc1ccc(F)c(CN[C@H]2CCCN[C@H]2c2ccccc2)c1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.76
CYP2D6 P10635 4/20 0.57
KCNH2 Q12809 1/20 0.57
HTR1A P08908 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HRH1 P35367 1/20 0.56
HTR2B P41595 1/20 0.56
SLC6A3 Q01959 1/20 0.56
TMEM97 Q5BJF2 1/20 0.56
SIGMAR1 Q99720 1/20 0.56

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
SCHEMBL8917197 1.00 TACR1 (0.76) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL8917194 1.00 TACR1 (0.76) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL4938888 0.93 TACR1 (0.65) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL4938900 0.93 TACR1 (0.65) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL4938892 0.93 TACR1 (0.65) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL31401591 0.88 TACR1 (0.61) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL8702339 0.88 TACR1 (0.72) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL8702337 0.88 TACR1 (0.72) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL8702331 0.88 TACR1 (0.72) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL9294005 0.88 TACR1 (0.68) TACR1CYP2D6KCNH2HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1045595-C Process for the preparation of the intermediates used in the synthesis of 3-aminopiperidine derivatives PFIZER (US) 1999-10-13 CN disclosed
CN-1038932-C Stereoselective preparation of substituted piperidines PFIZER (US) 1998-07-01 CN disclosed
US-5686615-A HYDROGENATION OF A PYRIDINE COMPOUND IN THE PRESENCE OF A METAL CATALYST PFIZER INC (US) 1997-11-11 US disclosed
CN-1035944-C 3-aminopiperidine derivatives and related nitrogen-containing heterocyclic compounds PFIZER (US) 1997-09-24 CN disclosed
EP-0436334-B1 3-Aminopiperidine derivatives and related nitrogen containing heterocycles PFIZER (US) 1994-12-07 EP disclosed
US-5332817-A 3-aminopiperidine derivatives and related nitrogen containing heterocycles PFIZER INC. (US) 1994-07-26 US disclosed
EP-0581777-A1 STEREOSELECTIVE PREPARATION OF SUBSTITUTED PIPERIDINES PFIZER INC. (US) 1994-02-09 EP disclosed
US-5232929-A 3-aminopiperidine derivatives and related nitrogen containing heterocycles and pharmaceutical compositions and use PFIZER INC. (US) 1993-08-03 US disclosed
WO-1992017449-A1 STEREOSELECTIVE PREPARATION OF SUBSTITUTED PIPERIDINES PFIZER INC. (US) 1992-10-15 WO disclosed
EP-0436334-A2 3-Aminopiperidine derivatives and related nitrogen containing heterocycles PFIZER INC. (US) 1991-07-10 EP disclosed