SCHEMBL6835006

SCHEMBL6835006

CC(O)CN1CCNCC1(C)CC(C)O.CC(O)Cn1ccnc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.33
CYP19A1 P11511 1/20 0.33
HMOX1 P09601 1/20 0.31
AGER Q15109 1/20 0.31
ADRA2C P18825 1/20 0.30
QPCT Q16769 1/20 0.30

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
SCHEMBL2579182 0.84 SMN1; SMN2 (0.31)
SCHEMBL18583611 0.74
SCHEMBL27894861 0.74
SCHEMBL218166 0.74
Hydrochloric Acid SCHEMBL27974590 0.72 FDPS (0.52) FDPSCYP19A1HMOX1AGERADRA2C
SCHEMBL23044706 0.68 FDPS (0.47) FDPSCYP19A1HMOX1AGERADRA2C
SCHEMBL9801146 0.68 SMN1; SMN2 (0.33)
Formic Acid SCHEMBL217826 0.67 FDPS (0.50) FDPSCYP19A1HMOX1AGERADRA2C
SCHEMBL6839681 0.67 SMN1; SMN2 (0.33)
SCHEMBL6299741 0.62 CYP19A1 (0.51) FDPSCYP19A1HMOX1AGERADRA2C

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-6756467-B2 POLYURETHANE SYSTEMS FOR USE AS ORTHOPAEDIC SPLINTING; VISCOSITY; SHELL LIFE BSN MEDICAL, INC. 2004-06-29 US claimed