SCHEMBL3943040

SCHEMBL3943040

CC(CN1CCC(c2ccc(Cl)cc2)CC1)C(Br)C=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.52
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DRD3 P35462 3/20 0.42
DRD4 P21917 2/20 0.42
PRCP P42785 3/20 0.42
SIGMAR1 Q99720 3/20 0.41
LSS P48449 1/20 0.41
CCR1 P32246 5/20 0.41
CCR2 P41597 1/20 0.40
GRM2 Q14416 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40

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
Hydrochloric Acid SCHEMBL3940629 0.84 DRD2 (0.51) DRD2MEN1KMT2ADRD3DRD4
Hydrochloric Acid SCHEMBL3944547 0.77 DRD2 (0.49) DRD2MEN1KMT2ADRD3DRD4
SCHEMBL27579835 0.76 DRD2 (0.62) DRD2MEN1KMT2ADRD3DRD4
Hydrochloric Acid SCHEMBL3941377 0.74 DRD2 (0.56) DRD2MEN1KMT2ADRD3DRD4
SCHEMBL3945724 0.74 CCR1 (0.48) PRCPCCR1
SCHEMBL3940847 0.72 PRCP (0.41) DRD2MEN1KMT2ADRD3DRD4
Hydrochloric Acid SCHEMBL3945178 0.71 SLC18A3 (0.41) DRD2DRD3CCR1CCR2HTR1A
SCHEMBL10287616 0.71 DRD2 (0.77) DRD2MEN1KMT2ADRD3DRD4
Hydrochloric Acid SCHEMBL3941761 0.70 DRD2 (0.50) DRD2MEN1KMT2ADRD3DRD4
SCHEMBL9967731 0.69 DRD2 (0.68) DRD2MEN1KMT2ADRD3DRD4

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-2049486-A2 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2009-04-22 EP disclosed
WO-2007092681-A2 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed