SCHEMBL9053322

SCHEMBL9053322

OC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1F

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 8/20 0.77
DRD2 P14416 5/20 0.70
SIGMAR1 Q99720 3/20 0.70
DRD3 P35462 2/20 0.70
LMNA P02545 1/20 0.70
OPRM1 P35372 1/20 0.60
OPRL1 P41146 1/20 0.60
CCR3 P51677 1/20 0.59

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
SCHEMBL9106963 0.87 CCR1 (1.00) CCR1
SCHEMBL11792972 0.83 DRD2 (0.88) CCR1DRD2SIGMAR1DRD3LMNA
Hydroxyhaloperidol SCHEMBL4540106 0.82 DRD2 (1.00) CCR1DRD2SIGMAR1DRD3LMNA
SCHEMBL11932477 0.79 CCR1 (0.69) CCR1DRD2SIGMAR1DRD3LMNA
SCHEMBL9107609 0.78 CCR1 (1.00) CCR1
SCHEMBL904905 0.78 DRD2 (0.83) CCR1DRD2SIGMAR1DRD3LMNA
SCHEMBL11790912 0.78 DRD2 (0.79) CCR1DRD2SIGMAR1DRD3LMNA
SCHEMBL11801584 0.78 DRD2 (0.79) CCR1DRD2SIGMAR1DRD3LMNA
SCHEMBL28849066 0.77 DRD2 (1.00) DRD2SIGMAR1DRD3OPRM1
SCHEMBL9108276 0.77 CCR1 (1.00) CCR1

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-1996002250-A1 HALOPERIDOL ANALOGS AND THE USE THEREOF ACEA PHARMACEUTICALS INC. (US) 1996-02-01 WO disclosed