SCHEMBL28367222

SCHEMBL28367222

CC1CCN(C(=O)NCc2ccc(Cl)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.60
NPC1 O15118 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
RAB9A P51151 1/20 0.56
LMNA P02545 2/20 0.56
TDP1 Q9NUW8 1/20 0.55
PKM P14618 1/20 0.55
MEN1 O00255 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
HSD11B1 P28845 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
EPHX2 P34913 1/20 0.50

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
SCHEMBL14413543 0.87 DPP7 (0.57) KMT2ANPC1LMNATDP1PKM
SCHEMBL13841233 0.85 MEN1 (0.72) KMT2ASMN1; SMN2MEN1NPSR1ALDH1A1
SCHEMBL5466273 0.82 KMT2A (0.76) KMT2ANPC1SMN1; SMN2LMNATDP1
SCHEMBL30677754 0.82 KMT2A (0.60) KMT2ANPC1SMN1; SMN2RAB9ALMNA
SCHEMBL28363668 0.81 CHRM4 (0.61) KMT2ANPC1SMN1; SMN2RAB9ALMNA
SCHEMBL28363609 0.81 MEN1 (0.62) KMT2ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL5061039 0.79 FAAH (0.64) KMT2ANPC1SMN1; SMN2LMNATDP1
SCHEMBL12466499 0.79 KMT2A (0.67) KMT2ANPC1LMNATDP1PKM
SCHEMBL11837576 0.78 ALOX5 (0.69) KMT2ANPC1SMN1; SMN2RAB9ALMNA
SCHEMBL3236002 0.77 GRM5 (0.58) KMT2ASMN1; SMN2RAB9ALMNAMEN1

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
CN-110878070-B Method for preparing asymmetric urea compound 中国科学院化学研究所 2021-08-31 CN disclosed
CN-110878070-A Method for preparing asymmetric urea compound 中国科学院化学研究所 2020-03-13 CN disclosed