SCHEMBL9247808

SCHEMBL9247808

COc1ccc2c(c1)C(CCCN1CCN(c3cccc(C(F)(F)F)c3)CC1)CCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 1.00
DRD2 P14416 2/20 0.69
DRD4 P21917 2/20 0.69
ABCB1 P08183 1/20 0.56

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
SCHEMBL9247812 0.79 SIGMAR1 (1.00) SIGMAR1DRD2DRD4ABCB1
SCHEMBL9251051 0.78 SIGMAR1 (1.00) SIGMAR1DRD2DRD4ABCB1
SCHEMBL9248869 0.76 SIGMAR1 (1.00) SIGMAR1DRD2DRD4
SCHEMBL9284535 0.75 SIGMAR1 (0.76) SIGMAR1DRD2ABCB1
SCHEMBL11262793 0.75 RECQL (0.66) SIGMAR1DRD2
SCHEMBL11285131 0.74 DRD2 (0.69) SIGMAR1DRD2
SCHEMBL11276904 0.73 DRD2 (0.59) SIGMAR1DRD2
SCHEMBL11465528 0.73 SIGMAR1 (0.76) SIGMAR1DRD2
SCHEMBL4687730 0.72 HTR2A (0.57) SIGMAR1DRD2ABCB1
SCHEMBL14290657 0.72 ABCB1 (1.00) SIGMAR1DRD2DRD4ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647222-A1 N(HETERO)-ARYL-N(HETERO)-TETRALIN-ALKYL-PIPERAZINE HAVING SEROTONINERGIC, DOPAMINERGIC AND ADRENERGIC ACTIVITY PHARMACIA & UPJOHN S.p.A. (IT) 1995-04-12 EP claimed
WO-1994000441-A1 N(HETERO)-ARYL-N(HETERO)-TETRALIN-ALKYL-PIPERAZINE HAVING SEROTONINERGIC, DOPAMINERGIC AND ADRENERGIC ACTIVITY FARMITALIA CARLO ERBA S.R.L. (IT) 1994-01-06 WO claimed
EP-0647222-A1 N(HETERO)-ARYL-N(HETERO)-TETRALIN-ALKYL-PIPERAZINE HAVING SEROTONINERGIC, DOPAMINERGIC AND ADRENERGIC ACTIVITY PHARMACIA & UPJOHN S.p.A. (IT) 1995-04-12 EP disclosed
WO-1994000441-A1 N(HETERO)-ARYL-N(HETERO)-TETRALIN-ALKYL-PIPERAZINE HAVING SEROTONINERGIC, DOPAMINERGIC AND ADRENERGIC ACTIVITY FARMITALIA CARLO ERBA S.R.L. (IT) 1994-01-06 WO disclosed