SCHEMBL6037070

SCHEMBL6037070

NCC(=O)NCCOC(=O)CN

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.35
RECQL P46063 1/20 0.33
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR2C P28335 1/20 0.31
TAAR1 Q96RJ0 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
Glycine SCHEMBL8201421 0.94 GLRA1 (0.39) CA2CA1RECQLLMNAPKM
SCHEMBL5670808 0.94 CA2 (0.36) CA2CA1RECQL
SCHEMBL9795107 0.84 CA2 (0.40) CA2CA1RECQLTSHRNPC1
SCHEMBL28969877 0.83 CHRM2 (0.39) CA2CA1LMNATSHRNPC1
Hydrochloric Acid SCHEMBL25328852 0.81 CA2 (0.38) CA2CA1LMNATSHR
SCHEMBL27520156 0.81 FAAH (0.42) CA2CA1LMNAMTNR1AMTNR1B
SCHEMBL8054587 0.81 MTNR1A (0.46) MTNR1AMTNR1BTSHRKDM4EHPGD
SCHEMBL8496243 0.79 CA2 (0.41) CA2CA1RECQLLMNAPKM
Hydrochloric Acid SCHEMBL27788814 0.79 FAAH (0.41) CA2CA1LMNAMTNR1AMTNR1B
SCHEMBL23028685 0.79 ALOX15 (0.33) TSHRSMN1; 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
US-20060029638-A1 Methods for treating body tissue STEDRONSKY ERWIN R 2006-02-09 US disclosed