SCHEMBL5525445

SCHEMBL5525445

C=CCN1CCC(c2cccc(OC(F)(F)F)c2Cl)CC1.CCN1CCC(c2cccc(OC(F)(F)F)c2Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
TSHR P16473 1/20 0.37
KDM2B Q8NHM5 1/20 0.36
ATM Q13315 1/20 0.35
HTR1A P08908 6/20 0.35
DRD1 P21728 4/20 0.35
DRD5 P21918 4/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34

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
SCHEMBL3768100 0.94 MEN1 (0.38) DRD2MEN1KMT2AATMHTR1A
SCHEMBL3761431 0.91 DRD2 (0.44) DRD2MEN1KMT2ATSHRKDM2B
SCHEMBL5511812 0.85 DRD2 (0.38) DRD2MEN1KMT2AATMHTR1A
SCHEMBL5510711 0.84 DRD2 (0.47) DRD2HTR1ADRD1DRD5DRD4
SCHEMBL2783246 0.83 DRD2 (0.37) DRD2MEN1KMT2AHTR1ADRD1
SCHEMBL3767620 0.83 DRD2 (0.39) DRD2MEN1KMT2AHTR1ADRD1
SCHEMBL5517963 0.82 DRD2 (0.36) DRD2DRD1DRD5DRD4DRD3
SCHEMBL3765947 0.82 DRD2 (0.57) DRD2DRD1DRD5DRD4DRD3
SCHEMBL3772533 0.82 SIGMAR1 (0.39) DRD2MEN1KMT2AHTR1ADRD1
SCHEMBL5503809 0.82 RBP4 (0.46) DRD2TSHRDRD1DRD3ADRA2A

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