SCHEMBL16559073

SCHEMBL16559073

Cc1[nH]c2ccccc2c1CC(N)CN

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
CYP3A4 P08684 1/20 0.54
ALDH1A1 P00352 3/20 0.53
HTT P42858 3/20 0.53
TSHR P16473 1/20 0.53
KDM4E B2RXH2 3/20 0.51
POLB P06746 1/20 0.51
GAA P10253 2/20 0.50
HTR6 P50406 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
AHR P35869 1/20 0.46
KRAS P01116 1/20 0.46
AKT1 P31749 1/20 0.45
NR3C1 P04150 1/20 0.43
HPGD P15428 2/20 0.42
PABPC1 P11940 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL16559075 1.00 MAPT (0.54) MAPTCYP3A4ALDH1A1HTTTSHR
SCHEMBL21944642 0.87 MAPT (0.54) MAPTCYP3A4ALDH1A1HTTTSHR
SCHEMBL21944641 0.87 MAPT (0.54) MAPTCYP3A4ALDH1A1HTTTSHR
SCHEMBL4614617 0.86 ALDH1A1 (0.59) MAPTCYP3A4ALDH1A1HTTTSHR
SCHEMBL15281774 0.83 MAPT (0.57) MAPTCYP3A4ALDH1A1HTTTSHR
SCHEMBL15281761 0.83 MAPT (0.57) MAPTCYP3A4ALDH1A1HTTTSHR
Hydrochloric Acid SCHEMBL8755126 0.80 MAPT (0.61) MAPTCYP3A4ALDH1A1HTTTSHR
SCHEMBL15214047 0.80 MAPT (0.61) MAPTCYP3A4ALDH1A1HTTTSHR
Cyanide SCHEMBL28914010 0.79 MAPT (0.53) MAPTCYP3A4ALDH1A1HTTTSHR
SCHEMBL9664534 0.79 MAPT (0.65) MAPTCYP3A4ALDH1A1HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170283781-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2017-10-05 US disclosed
US-9708588-B2 Biocatalysts and methods for synthesizing derivatives of tryptamine and tryptamine analogs CODEXIS, INC. (US) 2017-07-18 US disclosed
US-20160289649-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2016-10-06 US disclosed
US-9388395-B2 Biocatalysts and methods for synthesizing derivatives of tryptamine and tryptamine analogs CODEXIS, INC. (US) 2016-07-12 US disclosed
US-20150344854-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2015-12-03 US disclosed
US-9139821-B2 Biocatalysts and methods for synthesizing derivatives of tryptamine and tryptamine analogs CODEXIS, INC. (US) 2015-09-22 US disclosed
US-20150072383-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2015-03-12 US disclosed