SCHEMBL7225776

SCHEMBL7225776

[CH](CCCN1CCCCC1)CN1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.54
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 3/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
POLB P06746 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
SCHEMBL643893 0.95 HRH3 (0.48) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL5419101 0.86 KEAP1 (0.47) HRH3CYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL7543987 0.86 CXCR4 (0.53) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL11889486 0.84 HRH3 (0.56) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL5498783 0.80 PAOX (0.41) HRH3MAPTALDH1A1SIGMAR1
SCHEMBL4526651 0.78 KEAP1 (0.52) HRH3CYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL5499197 0.78 CXCR4 (0.48) HRH3CYP1A2SMN1; SMN2SIGMAR1POLB
SCHEMBL9412671 0.77 HRH3 (0.32) HRH3SMN1; SMN2
SCHEMBL1400000 0.77 HRH3 (0.43) HRH3SMN1; SMN2MAPTCARM1PRMT6
SCHEMBL11833413 0.77 SIGMAR1 (0.40) HRH3CYP1A2MAPTCARM1PRMT6

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-6514971-B1 For use in the production of antiangiogenic and/or vascular permeability reducing effects in warm-blooded animals such as humans ZENECA LIMITED (GB) 2003-02-04 US disclosed