SCHEMBL7937823

SCHEMBL7937823

NC[C@H](O)c1cccc(C(F)(F)C(F)(F)F)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.76
APEX1 P27695 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
TAAR1 Q96RJ0 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
RECQL P46063 2/20 0.43
BLM P54132 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADRB3 P13945 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD1 P21728 1/20 0.43

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
SCHEMBL166671 0.86 PNMT (1.00) PNMTAPEX1TDP1TAAR1MAPT
SCHEMBL7152130 0.86 PNMT (1.00) PNMTAPEX1TDP1TAAR1MAPT
SCHEMBL30753488 0.86 PNMT (1.00) PNMTAPEX1TDP1TAAR1MAPT
Hydrochloric Acid SCHEMBL4780018 0.85 PNMT (0.97) PNMTAPEX1TDP1TAAR1MAPT
SCHEMBL7154456 0.83 PNMT (0.70) PNMTAPEX1TDP1TAAR1MAPT
SCHEMBL7146806 0.79 PNMT (0.70) PNMTAPEX1TDP1TAAR1MAPT
SCHEMBL9074029 0.74 PNMT (0.75) PNMTMAPTKDM4E
SCHEMBL7148761 0.74 PNMT (0.47) PNMTMEN1KMT2ACYP3A4CES2
SCHEMBL840852 0.74 PDE2A (0.46) PNMTCES2
SCHEMBL861038 0.74 PDE2A (0.46) PNMTCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248573-B1 SULFONYLATING OR HALOGENATING A (S)-1-PHENYL-2-PROPANOL DERIVATIVE TO PRODUCE (S)-1-PHENYL-2-SUBSTITUTED PROPANE DERIVATIVE; CHEMICAL INTERMEDIATE FOR SYNTHESIS OF ANTIOBESITY DRUG DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed
US-5902900-A OPTICAL PURITY, USE AS ANTI-OBESITY AGENTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-11 US disclosed
US-5679557-A Process of asymmetrically reducing 1-phenyl-2-oxo-propane derivatives with microorganisms DAICEL CHEMICAL INDUSTRIES, LIMITED (JP) 1997-10-21 US disclosed
EP-0627397-B1 Optically active 1-phenyl-2-substituted propane derivatives and methods of producing the same DAICEL CHEM (JP) 1997-01-02 EP disclosed
US-5508461-A ANTIOBESITY AGENTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-16 US disclosed
EP-0627397-A1 Optically active 1-phenyl-2-substituted propane derivatives and methods of producing the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-07 EP disclosed