SCHEMBL7653153

SCHEMBL7653153

NCC[C@@](N)(Cc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 3/20 0.62
ARG2 P78540 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.58
HIF1A Q16665 1/20 0.58
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
CYP3A4 P08684 2/20 0.44
RECQL P46063 1/20 0.44
TAAR1 Q96RJ0 2/20 0.44
SLC6A2 P23975 1/20 0.44
MAPK1 P28482 1/20 0.43
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
BLM P54132 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ODC1 P11926 1/20 0.39
FDPS P14324 1/20 0.39

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
SCHEMBL7418608 0.89 ARG1 (0.68) ARG1ARG2SMN1; SMN2HIF1ACYP1A2
SCHEMBL7418611 0.89 ARG1 (0.68) ARG1ARG2SMN1; SMN2HIF1ACYP1A2
SCHEMBL7414058 0.89 ARG1 (0.68) ARG1ARG2SMN1; SMN2HIF1ACYP1A2
SCHEMBL28292422 0.88 ARG1 (0.70) ARG1ARG2SMN1; SMN2HIF1ATAAR1
SCHEMBL22689266 0.87 ARG1 (0.79) ARG1ARG2SMN1; SMN2HIF1ATAAR1
SCHEMBL8351006 0.86 SMN1; SMN2 (0.69) ARG1ARG2SMN1; SMN2HIF1ACYP1A2
SCHEMBL22190022 0.85 SMN1; SMN2 (0.62) ARG1ARG2SMN1; SMN2HIF1ACYP1A2
SCHEMBL14478223 0.84 ARG1 (0.60) ARG1ARG2SMN1; SMN2HIF1ACYP1A2
SCHEMBL343695 0.84 ARG1 (0.60) ARG1ARG2SMN1; SMN2HIF1ACYP1A2
SCHEMBL29278348 0.84 ARG1 (0.60) ARG1ARG2SMN1; SMN2HIF1ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6358978-B1 FOR THERAPY AND PROPHYLAXIS OF RHEUMATOID ARTHRITIS (IN THE CASE OF INFLAMMATION), OSTEOARTHRITIS, ASTHMA, CARDIAC INFARCT, ALZHEIMER'S DISEASE, OR ATHEROSCLEROSIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-03-19 US disclosed
CN-1290283-A Crosslinked particles BIOTECH AUSTRALIA PTY LTD (AU) 2001-04-04 CN disclosed