SCHEMBL13994004

SCHEMBL13994004

CN1CCN(c2cccc(NC(C)(C)C)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.56
HTR2A P28223 2/20 0.49
HTR1A P08908 1/20 0.49
HTR2C P28335 1/20 0.49
HTR7 P34969 1/20 0.49
DRD3 P35462 1/20 0.49
HTR6 P50406 1/20 0.49
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
AGXT P21549 1/20 0.47
HTR3A P46098 1/20 0.46
KDM1A O60341 1/20 0.45
RCOR1 Q9UKL0 1/20 0.45
CASP3 P42574 1/20 0.44
CASP7 P55210 1/20 0.44
PLOD2 O00469 1/20 0.43
PLOD3 O60568 1/20 0.43
PLOD1 Q02809 1/20 0.43
SETD2 Q9BYW2 1/20 0.42
JAK2 O60674 3/20 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
SCHEMBL21966131 0.83 LMNA (0.49) AGXTCASP3CASP7PLOD2PLOD3
SCHEMBL21965859 0.83 ADRB1 (0.57) HTR2AHTR1AHTR2CHTR7DRD3
SCHEMBL2378486 0.81 ADRA2C (0.61) ADRA2CHTR2AHTR1AHTR2CHTR7
SCHEMBL22742655 0.81 HTR3A (0.59) ADRA2CHTR2AHTR1AHTR2CHTR7
SCHEMBL13996557 0.81 ADRA2C (0.56) ADRA2CHTR2AHTR1AHTR2CHTR7
SCHEMBL21965752 0.80 ADRA2C (0.53) ADRA2CKDM1AALDH1A1KDM4EGAA
SCHEMBL22169759 0.78 BRD4 (0.58) ADRA2CHTR2AHTR1AHTR1DHTR1B
SCHEMBL25156906 0.77 ADRA2C (0.56) ADRA2CHTR2AHTR1AHTR2CHTR7
SCHEMBL3433102 0.77 ADRA2C (0.56) ADRA2CHTR2AHTR1AHTR2CHTR7
SCHEMBL5543193 0.76 ADRA2C (0.54) ADRA2CHTR2AHTR1AHTR2CHTR7

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-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed