SCHEMBL3723293

SCHEMBL3723293

NCC1C[N]CC(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.50
KDM1A O60341 6/20 0.38
MAOB P27338 5/20 0.38
RCOR1 Q9UKL0 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
KIF11 P52732 2/20 0.34
MAOA P21397 2/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL1366374 0.71 HTR2C (0.53) HTR2CKDM1AMAOBKIF11
SCHEMBL19733862 0.69 HTR2C (0.53) HTR2CKDM1AMAOBRCOR1KIF11
SCHEMBL13742154 0.68 HTR2C (0.87) HTR2CKDM1AMAOBHTR2AHTR2B
SCHEMBL2231911 0.68 HTR2C (0.49) HTR2CKDM1AMAOBRCOR1
SCHEMBL1847401 0.67 HTR2C (0.73) HTR2CKDM1AMAOBMAOA
SCHEMBL3123347 0.67 HTR2C (0.61) HTR2CKIF11
Hydrochloric Acid SCHEMBL4139504 0.67 HTR2C (0.90) HTR2CMAOBHTR2AHTR2BSLC6A3
Hydrochloric Acid SCHEMBL4139502 0.67 HTR2C (0.90) HTR2CMAOBHTR2AHTR2BSLC6A3
SCHEMBL12032020 0.66 ALDH1A1 (0.47) HTR2CKDM1ARCOR1KIF11
SCHEMBL2299932 0.66 LTA4H (0.47) KDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010136128-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed