SCHEMBL8668074

SCHEMBL8668074

CCCCc1c(N2CCC(N3Cc4ccccc4C3)C2)ccc2c1C(C(=O)NCCC)c1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.37
▸ DRD4 P21917 3/20 0.37
▸ DRD3 P35462 3/20 0.37
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ NAMPT P43490 2/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL8485122 0.95 DRD2 (0.39) DRD2DRD4DRD3BCHEACHE
SCHEMBL8503794 0.93 DRD2 (0.38) DRD2DRD4DRD3BCHEACHE
SCHEMBL8675068 0.84 L3MBTL1 (0.42) DRD2DRD4DRD3KMT2AKDM4E
SCHEMBL8480412 0.84 DRD2 (0.37) DRD2DRD4DRD3KMT2AKDM4E
SCHEMBL8480929 0.83 DRD2 (0.44) DRD2DRD4DRD3KMT2AKDM4E
SCHEMBL8669688 0.82 DRD2 (0.39) DRD2DRD4DRD3KDM4ENAMPT
SCHEMBL8485593 0.80 NPY1R (0.40) DRD2DRD4DRD3LMNAGAA
SCHEMBL8664324 0.80 NPY1R (0.35) LMNAPOLBGAANPSR1
SCHEMBL8714745 0.80 CHRM1 (0.41) DRD2DRD4DRD3KMT2AHPGD
SCHEMBL8664248 0.79 PSEN1 (0.34) LMNAPOLBGAANPSR1

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
US-5827875-A PYRROLIDINE DERIVATIVES; ANTIATHEROSCLEROSIS AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-10-27 — — US disclosed
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