SCHEMBL8669688

SCHEMBL8669688

CCCCc1c(N2CCC(NC(=O)c3ccccc3)C2)ccc2c1C(C(=O)NCCC)c1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.39
▸ DRD4 P21917 4/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ MTNR1A P48039 3/20 0.39
▸ MTNR1B P49286 3/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ CARM1 Q86X55 1/20 0.39
▸ PRMT6 Q96LA8 1/20 0.39
▸ CHRM1 P11229 3/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ SMPD3 Q9NY59 1/20 0.36
▸ UTS2R Q9UKP6 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL8714745 0.96 CHRM1 (0.41) DRD2DRD4DRD3CARM1PRMT6
SCHEMBL8502239 0.93 DRD2 (0.39) DRD2DRD4DRD3CHRM1NPSR1
SCHEMBL8665881 0.91 DRD2 (0.37) DRD2DRD4DRD3AKT1CARM1
SCHEMBL8666097 0.89 DRD2 (0.36) DRD2DRD4DRD3MTNR1AMTNR1B
SCHEMBL8501237 0.85 MTTP (0.36) DRD2DRD4DRD3CHRM1NPSR1
SCHEMBL8480929 0.83 DRD2 (0.44) DRD2DRD4DRD3NPSR1KDM4E
SCHEMBL8501050 0.82 MTTP (0.36) DRD2DRD4DRD3CHRM1
SCHEMBL8668074 0.82 DRD2 (0.37) DRD2DRD4DRD3NPSR1NAMPT
SCHEMBL8675068 0.81 L3MBTL1 (0.42) DRD2DRD4DRD3NPSR1KDM4E
SCHEMBL8665519 0.80 CCR3 (0.40) DRD2

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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