SCHEMBL687569

SCHEMBL687569

c1ccc2c(c1)CNC2Cc1ncc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.41
ADRA1A P35348 3/20 0.41
HTR2B P41595 2/20 0.40
SLC22A1 O15245 1/20 0.40
PRCP P42785 1/20 0.40
ADRA2A P08913 2/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1B P35368 1/20 0.40
ALOX15 P16050 1/20 0.36
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6408593 0.86 PRCP (0.58) ADRA1ASLC22A1PRCPADRA2AADRA1D
SCHEMBL4365122 0.76 PRCP (0.42) SLC22A1PRCPLMNASMN1; SMN2
SCHEMBL28709407 0.73 SLC22A1 (0.70) SLC22A1PRCP
SCHEMBL29387026 0.73 SLC22A1 (0.70) SLC22A1PRCP
SCHEMBL1471226 0.72 ADRA1A (0.56) ADRA1AHTR2BADRA2AADRA1DADRA1B
SCHEMBL11100422 0.71 ADRA1A (0.41) TAAR1ADRA1AHTR2BADRA2AADRA1D
SCHEMBL769614 0.71 ADRA1A (0.57) TAAR1ADRA1AADRA2AADRA1DADRA1B
SCHEMBL769078 0.70 ADRA1A (0.39) TAAR1ADRA1AHTR2BADRA2AADRA1D
SCHEMBL3111967 0.70 PRCP (0.43) SLC22A1PRCPCYP2D6
SCHEMBL10931837 0.70 ADRA1A (0.50) TAAR1ADRA1AHTR2BADRA2AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228071-B8 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORP (US) 2012-02-29 EP disclosed
EP-1228071-A4 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORP (US) 2002-12-04 EP disclosed
EP-1228071-A1 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORPORATION (US) 2002-08-07 EP disclosed
WO-2001034606-A1 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORPORATION (US) 2001-05-17 WO disclosed