SCHEMBL11889487

SCHEMBL11889487

[CH2]CC(CCCN1CCCCC1)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.46
MAPT P10636 2/20 0.38
CYP1A2 P05177 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
SCN5A Q14524 1/20 0.32
HRH1 P35367 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL11179160 0.88 HRH3 (0.39) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL5489928 0.88 HRH3 (0.39) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL10846104 0.86 HRH3 (0.36) HRH3MAPTALDH1A1TSHRLMNA
SCHEMBL7768226 0.78 HRH3 (0.43) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL28884650 0.78 KEAP1 (0.46) HRH3CYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL5248220 0.74 FDPS (0.31)
SCHEMBL28778483 0.73 HRH3 (0.47) HRH3MAPTHRH1
SCHEMBL643894 0.72 HRH3 (0.44) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL22077060 0.72 HRH3 (0.50) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL2099926 0.72 HRH3 (0.40) HRH3MAPTCYP1A2MAPK1SMN1; SMN2

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
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 EP disclosed