SCHEMBL9587010

SCHEMBL9587010

[Li]C1NCCc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 8/20 0.58
GAA P10253 1/20 0.56
SLC22A1 O15245 1/20 0.51
RECQL P46063 1/20 0.51
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GID4 Q8IVV7 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
MAPT P10636 1/20 0.44
TAAR1 Q96RJ0 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
SCHEMBL327182 0.79 PRCP (0.58) PRCPGAASLC22A1RECQLTSHR
SCHEMBL30924722 0.79 PRCP (0.58) PRCPGAASLC22A1RECQLTSHR
SCHEMBL16799768 0.78 PRCP (0.70) PRCPGAASLC22A1RECQLTSHR
SCHEMBL24017043 0.78 PRCP (0.70) PRCPGAASLC22A1RECQLTSHR
SCHEMBL30368634 0.78 PRCP (0.70) PRCPGAASLC22A1RECQLTSHR
Hydrochloric Acid SCHEMBL28282197 0.78 GAA (0.59) PRCPGAASLC22A1RECQLTSHR
SCHEMBL327738 0.75 PRCP (0.61) PRCPGAASLC22A1RECQLTSHR
SCHEMBL358171 0.75 PRCP (0.58) PRCPGAASLC22A1RECQLTSHR
SCHEMBL8823898 0.75 PRCP (0.58) PRCPGAASLC22A1RECQLTSHR
SCHEMBL878428 0.75 PRCP (0.59) PRCPGAASLC22A1RECQLTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5272270-A Process for the preparation of 1-alkylisoquinoline derivatives CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1993-12-21 US disclosed