SCHEMBL28129028

SCHEMBL28129028

COC(=O)c1ccc(CN)cc1CN1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.43
LOXL2 Q9Y4K0 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
CHRM2 P08172 2/20 0.40
CYP1A2 P05177 1/20 0.40
SLC6A4 P31645 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
CXCR4 P61073 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
APOBEC3A P31941 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2C P18825 1/20 0.40
CCR2 P41597 1/20 0.40

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
Tert-Butyl Formate SCHEMBL28001625 0.91 CHRM3 (0.39) CHRM3LOXL2ALDH1A1NPSR1HCRTR1
SCHEMBL28128576 0.84 ALDH1A1 (0.43) LOXL2ALDH1A1NPSR1HCRTR1HCRTR2
SCHEMBL28001624 0.80 ALDH1A1 (0.39) LOXL2ALDH1A1NPSR1HCRTR1HCRTR2
SCHEMBL25145993 0.79 LMNA (0.54) CHRM3ALDH1A1CHRM2CYP1A2SLC6A4
SCHEMBL17929345 0.78 CXCR4 (0.56) CHRM3ALDH1A1NPSR1CHRM2CXCR4
SCHEMBL23696156 0.78 CHRM3 (0.49) CHRM3ALDH1A1NPSR1CHRM2CXCR4
SCHEMBL28129042 0.75 HCRTR1 (0.56) CHRM3HCRTR1HCRTR2CHRM2CYP1A2
SCHEMBL5038790 0.75 CHKA (0.59) CHRM3ALDH1A1CHRM2OPRD1CXCR4
SCHEMBL3569140 0.73 CHKA (0.60) CHRM3ALDH1A1CHRM2OPRD1CXCR4
Hydrochloric Acid SCHEMBL10900610 0.72 CHKA (0.59) CHRM3ALDH1A1OPRD1CXCR4MEN1

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