SCHEMBL15375784

SCHEMBL15375784

COC1c2ccccc2CCC1N

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.49
PDPK1 O15530 1/20 0.44
ANPEP P15144 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
PIN1 Q13526 1/20 0.40
PLAU P00749 1/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
CYP2D6 P10635 2/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL6631112 0.81 HTR6 (0.43) SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL19953539 0.81 HTR6 (0.43) SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL3047034 0.81 HTR6 (0.43) SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL19182923 0.81 HTR6 (0.43) SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL6631116 0.81 HTR6 (0.43) SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL24065055 0.81 HTR6 (0.43) SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL16866691 0.81 HTR2A (0.47) IDO1PDPK1CYP2D6
Hydrochloric Acid SCHEMBL4199739 0.80 KDM1A (0.46) IDO1ANPEP
Hydrochloric Acid SCHEMBL31324603 0.80 KDM1A (0.46) IDO1ANPEP
SCHEMBL14065441 0.80 IDO1 (0.46) IDO1PDPK1PIN1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11060072-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds CODEXIS, INC. (US) 2021-07-13 US disclosed
US-10947572-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds CODEXIS, INC. (US) 2021-03-16 US disclosed
US-20190345458-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2019-11-14 US disclosed
US-10407668-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds CODEXIS, INC. (US) 2019-09-10 US disclosed
US-20180030419-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2018-02-01 US disclosed
US-9296993-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds CODEXIS, INC. (US) 2016-03-29 US disclosed
US-9193957-B2 Engineered imine reductases and methods for the reductive animation of ketone and amine compounds CODEXIS, INC. (US) 2015-11-24 US disclosed
US-20130302859-A1 Engineered imine reductases and methods for the reductive animation of ketone and amine compounds. CODEXIS,INC. (US) 2013-11-14 US disclosed