SCHEMBL5505183

SCHEMBL5505183

CC1CC(c2cccc(C(F)(F)F)c2F)=CCN1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPL P40238 3/20 0.37
KDM1A O60341 1/20 0.37
HSD11B1 P28845 3/20 0.35
HTR2C P28335 4/20 0.34
HTR2B P41595 4/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
METAP1 P53582 1/20 0.33
P2RX7 Q99572 2/20 0.32
HTR2A P28223 2/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL5115977 0.87 HSD11B1 (0.38) HSD11B1HTR2CHTR2A
SCHEMBL5497223 0.85 GRIN1 (0.36) MPLKDM1AHSD11B1HTR2CHTR2B
SCHEMBL4788776 0.75 IDH1 (0.36)
SCHEMBL2783025 0.74 HTR2C (0.54) MPLHTR2C
Hydrochloric Acid SCHEMBL6336129 0.70
SCHEMBL1078755 0.70 HTR7 (0.37)
SCHEMBL5120102 0.70 HTR2C (0.57) KDM1AHTR2C
SCHEMBL4790016 0.69 CYP2A6 (0.35) HSD11B1
Hydrochloric Acid SCHEMBL7766719 0.69 HTR7 (0.36) HTR2C
SCHEMBL4789469 0.69 ALDH1A1 (0.35) HTR2CHTR2BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1768958-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-04-04 EP disclosed
WO-2005121088-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 WO disclosed