SCHEMBL28129042

SCHEMBL28129042

COC(=O)c1cc(Cl)ccc1CN1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.56
HCRTR2 O43614 1/20 0.56
DDR1 Q08345 9/20 0.48
CYP1A2 P05177 1/20 0.45
CHRM2 P08172 1/20 0.45
SLC6A4 P31645 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
APOBEC3A P31941 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
F10 P00742 1/20 0.44
ABL1 P00519 1/20 0.43
LMNA P02545 1/20 0.42
NR4A2 P43354 2/20 0.42
CHRM3 P20309 2/20 0.42

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
SCHEMBL28128541 0.84 HCRTR1 (0.55) HCRTR1HCRTR2F10ABL1LMNA
SCHEMBL15264387 0.82 HCRTR1 (0.54) HCRTR1HCRTR2ABL1LMNA
SCHEMBL25145993 0.81 LMNA (0.54) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL17929345 0.80 CXCR4 (0.56) CHRM2CHRM3
SCHEMBL18899931 0.80 DDR1 (0.55) DDR1CYP1A2CHRM2SLC6A4OPRD1
SCHEMBL15263897 0.79 VEGFA (0.54) HCRTR1HCRTR2DDR1
SCHEMBL652911 0.77 HTR3E (0.56) CYP1A2SLC6A4ABL1LMNANR4A2
SCHEMBL15264757 0.77 KDM4E (0.59) HCRTR1HCRTR2LMNA
SCHEMBL10174510 0.76 ABL1 (0.57) HCRTR1HCRTR2SLC6A4ABL1LMNA
SCHEMBL28129028 0.75 CHRM3 (0.43) HCRTR1HCRTR2CYP1A2CHRM2SLC6A4

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
CN-104379578-B Carbamate compounds and its preparation and application 阿比德治疗公司 2017-06-09 CN disclosed