SCHEMBL6802931

SCHEMBL6802931

CC1CN(c2ccccc2)C(C)CN1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
MAPK1 P28482 1/20 0.41
ALOX5 P09917 2/20 0.40
PIM1 P11309 1/20 0.40
HDAC1 Q13547 1/20 0.40
GAA P10253 1/20 0.40
G6PD P11413 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BPTF Q12830 1/20 0.39
SLC18A3 Q16572 1/20 0.38

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
SCHEMBL3557231 1.00 SIGMAR1 (0.49) SIGMAR1HTR2AHTR2CHTR2BMAPK1
SCHEMBL12916351 0.84 PIM1 (0.39) SIGMAR1HTR2AHTR2CHTR2BPIM1
SCHEMBL22542012 0.84 PIM1 (0.39) SIGMAR1HTR2AHTR2CHTR2BPIM1
SCHEMBL13808671 0.84 PIM1 (0.39) SIGMAR1HTR2AHTR2CHTR2BPIM1
SCHEMBL24028089 0.82 PIM1 (0.38) SIGMAR1HTR2AHTR2CHTR2BPIM1
SCHEMBL16853407 0.82 HDAC1 (0.39) SIGMAR1HTR2AHTR2CHTR2BPIM1
SCHEMBL11019668 0.82 PIM1 (0.38) SIGMAR1HTR2AHTR2CHTR2BPIM1
SCHEMBL4935360 0.82 PIM1 (0.44) SIGMAR1HTR2AHTR2CHTR2BPIM1
SCHEMBL4939560 0.82 PIM1 (0.38) SIGMAR1HTR2AHTR2CHTR2BPIM1
SCHEMBL4935362 0.82 PIM1 (0.44) SIGMAR1HTR2AHTR2CHTR2BPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828427-B1 Oligomeric aminodiol-containing compounds, libraries thereof, and process of preparing the same ISIS PHARMACEUTICALS, INC. 2004-12-07 US disclosed
US-6750344-B1 MONOCYCLIC AMINE SCAFFOLD BEARING AT LEAST TWO SITES OF DIVERSITY, CYCLIZED TO FORM BICYCLIC AMINE SCAFFOLDS; 7-AMINO-PYRROLO(1,2-A)PYRAZIN-4-ONE COMPOUNDS ISIS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-6316626-B1 Amine compounds and combinatorial libraries comprising same ISIS PHARMACEUTICALS, INC. 2001-11-13 US disclosed