SCHEMBL3059690

SCHEMBL3059690

COc1ccc(C(CN(C)C)C2(OP(=O)(O)O)CCCCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.64
SLC6A4 P31645 12/20 0.64
SLC6A3 Q01959 10/20 0.64
LMNA P02545 1/20 0.64
CNR1 P21554 1/20 0.64
HTR2A P28223 1/20 0.64
HRH1 P35367 1/20 0.64
HRH3 Q9Y5N1 1/20 0.64
CACNA1F O60840 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNA1S Q13698 1/20 0.45
CACNA1C Q13936 1/20 0.45
OPRM1 P35372 1/20 0.45

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
SCHEMBL16100233 0.84 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL6392452 0.83 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3LMNACNR1
Venlafaxine SCHEMBL4410488 0.83 SLC6A2 (0.88) SLC6A2SLC6A4SLC6A3LMNACNR1
Venlafaxine SCHEMBL18317298 0.82 SLC6A2 (0.88) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL14720119 0.81 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3LMNACNR1
Hydrochloric Acid SCHEMBL6707673 0.81 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL3994041 0.80 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL6707041 0.80 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL3406789 0.80 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3LMNACNR1
Water SCHEMBL3405110 0.79 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3LMNACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060281715-A1 Phosphates of secondary alcohols VITAL HEALTH SCIENCES PTY. LTD (AU) 2006-12-14 US claimed
US-20100261670-A1 COMPLEXES OF PHOSPHATE DERIVATIVES WEST SIMON MICHAEL 2010-10-14 US disclosed
CN-100584851-C Phosphates of secondary alcohols VITAL HEALTH SCIENCES PTY LTD 2010-01-27 CN disclosed
EP-2085402-A1 Phosphates of secondary alcohols Vital Health Sciences Pty Ltd. (AU) 2009-08-05 EP disclosed
EP-1615936-A4 PHOSPHATES OF SECONDARY ALCOHOLS VITAL HEALTH SCIENCES PTY LTD (AU) 2008-04-30 EP disclosed
US-20060281715-A1 Phosphates of secondary alcohols VITAL HEALTH SCIENCES PTY. LTD (AU) 2006-12-14 US disclosed
CN-1774443-A Phosphates of secondary alcohols VITAL HEALTH SCIENCES PTY LTD (AU) 2006-05-17 CN disclosed
EP-1615936-A1 PHOSPHATES OF SECONDARY ALCOHOLS Vital Health Sciences Pty Ltd. (AU) 2006-01-18 EP disclosed
WO-2004092186-A1 PHOSPHATES OF SECONDARY ALCOHOLS VITAL HEALTH SCIENCES PTY LTD (AU) 2004-10-28 WO disclosed
US-20040052754-A1 Complexes of phosphate derivatives VITAL HEALTH SCIENCES PTY LTD. (AU) 2004-03-18 US disclosed