SCHEMBL8733354

SCHEMBL8733354

COc1ccc(OC(F)(F)F)cc1CN[C@@H]1CCCN[C@@H]1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 1.00
CYP2D6 P10635 5/20 1.00
KCNH2 Q12809 1/20 1.00
HTR1A P08908 1/20 0.98
HTR2A P28223 1/20 0.98
HTR2C P28335 1/20 0.98
HRH1 P35367 1/20 0.98
HTR2B P41595 1/20 0.98
SLC6A3 Q01959 1/20 0.98
TMEM97 Q5BJF2 1/20 0.98
SIGMAR1 Q99720 1/20 0.98

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
SCHEMBL6700496 1.00 TACR1 (1.00) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL156646 1.00 TACR1 (1.00) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL29754193 1.00 TACR1 (1.00) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL119933 1.00 TACR1 (1.00) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL29870266 1.00 TACR1 (1.00) TACR1CYP2D6KCNH2HTR1AHTR2A
Hydrochloric Acid SCHEMBL8731569 0.99 TACR1 (1.00) TACR1CYP2D6KCNH2HTR1AHTR2A
Hydrochloric Acid SCHEMBL29407476 0.99 TACR1 (1.00) TACR1CYP2D6KCNH2HTR1AHTR2A
Hydrochloric Acid SCHEMBL8731566 0.99 TACR1 (1.00) TACR1CYP2D6KCNH2HTR1AHTR2A
Hydrochloric Acid SCHEMBL4913461 0.99 TACR1 (1.00) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL4912732 0.97 TACR1 (0.94) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663349-A Preparation of substituted piperidenes PFIZER INC (US) 1997-09-02 US claimed
EP-0619806-A1 PREPARATION OF SUBSTITUTED PIPERIDINES. PFIZER (US) 1994-10-19 EP claimed
WO-1993011110-A1 PREPARATION OF SUBSTITUTED PIPERIDINES PFIZER INC. (US) 1993-06-10 WO claimed
EP-0690835-B1 FORMYLATION PROCESS FOR AROMATIC ALDEHYDES PFIZER (US) 1998-08-19 EP disclosed
US-5663349-A Preparation of substituted piperidenes PFIZER INC (US) 1997-09-02 US disclosed
EP-0619806-B1 PREPARATION OF SUBSTITUTED PIPERIDINES PFIZER (US) 1996-01-03 EP disclosed
US-5364943-A Preparation of substituted piperidines PFIZER INC. (US) 1994-11-15 US disclosed
EP-0619806-A1 PREPARATION OF SUBSTITUTED PIPERIDINES. PFIZER (US) 1994-10-19 EP disclosed
WO-1993011110-A1 PREPARATION OF SUBSTITUTED PIPERIDINES PFIZER INC. (US) 1993-06-10 WO disclosed