SCHEMBL11225883

SCHEMBL11225883

CN(C)CCC(c1ccc(C(=O)NN)cc1)c1ncc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.43
PMP22 Q01453 2/20 0.42
BLM P54132 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CHRM2 P08172 4/20 0.41
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
SCN1A P35498 3/20 0.41
SCN2A Q99250 3/20 0.41
SCN3A Q9NY46 3/20 0.41
UTS2R Q9UKP6 7/20 0.41
ADRA2B P18089 3/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2C P18825 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
SCHEMBL11227354 0.88 KDM4E (0.48) LMNATSHRALDH1A1CYP3A4CYP2C19
SCHEMBL11229218 0.86 LMNA (0.45) LMNATSHRALDH1A1CYP3A4CYP2C19
SCHEMBL11230021 0.81 CHRM2 (0.48) LMNATSHRALDH1A1CYP3A4CYP2C19
SCHEMBL11233845 0.80 CHRM2 (0.47) LMNATSHRALDH1A1CYP3A4CYP2C19
SCHEMBL11229432 0.79 CHRM2 (0.63) LMNATSHRALDH1A1CYP3A4CYP2C19
SCHEMBL11238126 0.79 CHRM2 (0.46) LMNATSHRALDH1A1CYP3A4CYP2C19
SCHEMBL11228116 0.78 HRH1 (0.63) LMNATSHRALDH1A1CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL11226344 0.78 CHRM2 (0.61) LMNATSHRALDH1A1CYP3A4CYP2C19
SCHEMBL11224098 0.77 CHRM2 (0.42) LMNATSHRALDH1A1CYP3A4CYP2C19
SCHEMBL11225540 0.76 CHRM2 (0.46) LMNATSHRALDH1A1CYP3A4CYP2C19

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-4324792-A SKIN DISORDERS, HAY FEVER, ASTHMA GLAXO GROUP LIMITED (GB) 1982-04-13 US disclosed