SCHEMBL16559076

SCHEMBL16559076

Cn1c2c(c3ccccc31)CC(N)CC2

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.53
▸ HTR2C P28335 1/20 0.53
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ HTR6 P50406 1/20 0.46
▸ RB1 P06400 1/20 0.44
▸ NR2E1 Q9Y466 1/20 0.44
▸ HTR5A P47898 4/20 0.44
▸ GPR3 P46089 1/20 0.41

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
SCHEMBL6529682 1.00 HTR2A (0.53) HTR2AHTR2CCYP1A2CYP2D6KDM4E
SCHEMBL16559077 1.00 HTR2A (0.53) HTR2AHTR2CCYP1A2CYP2D6KDM4E
SCHEMBL8791910 0.81 HTR2A (0.56) HTR2AHTR2CCYP1A2CYP2D6KDM4E
SCHEMBL7406719 0.81 HTR2A (0.53) HTR2AHTR2CCYP1A2CYP2D6KDM4E
SCHEMBL7412311 0.80 HTR6 (0.61) HTR2AHTR2CCYP1A2CYP2D6KDM4E
SCHEMBL13877232 0.79 HTR2A (0.50) HTR2AHTR2CCYP1A2CYP2D6KDM4E
SCHEMBL21088785 0.79 RB1 (0.51) HTR2AHTR2CCYP1A2CYP2D6KDM4E
SCHEMBL18070796 0.79 HTR2A (0.50) HTR2AHTR2CCYP1A2CYP2D6KDM4E
SCHEMBL10743921 0.78 HTR2A (0.49) HTR2AHTR2CCYP1A2CYP2D6KDM4E
SCHEMBL6687023 0.77 HTR6 (0.64) HTR6

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
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