SCHEMBL11606367

SCHEMBL11606367

COc1cc2c(cc1OC)C[C@@H](N1CCN(c3ccccc3OC)CC1)[C@H](O)C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.61
DRD2 P14416 4/20 0.56
DRD3 P35462 3/20 0.56
MCOLN2 Q8IZK6 5/20 0.53
MCOLN1 Q9GZU1 5/20 0.53
MCOLN3 Q8TDD5 4/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 3/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTR2A P28223 1/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
ADRB1 P08588 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTR3A P46098 1/20 0.48
HTR6 P50406 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48

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
SCHEMBL11606362 1.00 SLC18A3 (0.61) SLC18A3DRD2DRD3MCOLN2MCOLN1
SCHEMBL11606358 1.00 SLC18A3 (0.61) SLC18A3DRD2DRD3MCOLN2MCOLN1
SCHEMBL11603611 0.92 SLC18A3 (0.64) SLC18A3DRD2DRD3MCOLN2MCOLN1
SCHEMBL11603615 0.92 SLC18A3 (0.64) SLC18A3DRD2DRD3MCOLN2MCOLN1
SCHEMBL11603608 0.92 SLC18A3 (0.64) SLC18A3DRD2DRD3MCOLN2MCOLN1
SCHEMBL11752871 0.89 SLC18A3 (0.56) SLC18A3DRD2DRD3MCOLN2MCOLN1
SCHEMBL11752515 0.89 SLC18A3 (0.56) SLC18A3DRD2DRD3MCOLN2MCOLN1
SCHEMBL11752519 0.89 SLC18A3 (0.56) SLC18A3DRD2DRD3MCOLN2MCOLN1
SCHEMBL11747670 0.89 SLC18A3 (0.56) SLC18A3DRD2DRD3MCOLN2MCOLN1
SCHEMBL11749125 0.89 SLC18A3 (0.56) SLC18A3DRD2DRD3MCOLN2MCOLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4018773-A Phenylpiperazinotetrahydronaphthols and derivatives E. R. SQUIBB & SONS, INC. (US) 1977-04-19 US claimed
US-4081444-A Phenylpiperazinotetrahydronaphthols and derivatives E. R. SQUIBB & SONS, INC. (US) 1978-03-28 US disclosed
US-4018773-A Phenylpiperazinotetrahydronaphthols and derivatives E. R. SQUIBB & SONS, INC. (US) 1977-04-19 US disclosed