SCHEMBL5502949

SCHEMBL5502949

C=CCN1CCC(c2cccc(F)c2Cl)CC1.CCN1CCC(c2cccc(C(F)(F)F)c2C)CC1.CCN1CCC(c2cccc(C(F)(F)F)c2F)CC1.CCN1CCC(c2cccc(F)c2Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 9/20 0.38
OPRL1 P41146 3/20 0.34
DRD3 P35462 1/20 0.33
GRM2 Q14416 1/20 0.33
CXCR2 P25025 1/20 0.33
DRD1 P21728 1/20 0.33
KDM4E B2RXH2 3/20 0.32
TSHR P16473 2/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DRD4 P21917 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5503809 0.86 RBP4 (0.46) RBP4OPRL1DRD3CXCR2DRD1
SCHEMBL2784637 0.84 DRD3 (0.42) RBP4OPRL1DRD3GRM2
SCHEMBL2785344 0.83 DRD3 (0.43) RBP4OPRL1DRD3GRM2
SCHEMBL5503228 0.82 DRD2 (0.43) RBP4DRD3CXCR2
SCHEMBL5503775 0.82 DRD2 (0.43) RBP4DRD3CXCR2
SCHEMBL3774468 0.81 OPRL1 (0.43) RBP4OPRL1DRD1KDM4EPKM
SCHEMBL5513017 0.80 DRD2 (0.37) DRD3GRM2UBE2MDCUN1D1
SCHEMBL5505250 0.80 DRD2 (0.37) DRD3GRM2
SCHEMBL2782945 0.80 RBP4 (0.41) RBP4DRD3GRM2
SCHEMBL3765897 0.80 DRD3 (0.46) RBP4DRD3GRM2KDM4EUBE2M

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 claimed
WO-2005121088-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 WO claimed