SCHEMBL7599665

SCHEMBL7599665

CCCN(CCC)CCOC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
LMNA P02545 6/20 0.43
CHRM2 P08172 4/20 0.43
CYP2C19 P33261 4/20 0.43
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
CHRM4 P08173 3/20 0.43
CHRM5 P08912 3/20 0.43
CHRM1 P11229 3/20 0.43
CHRM3 P20309 3/20 0.43
TSHR P16473 3/20 0.43
HTR1A P08908 2/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
HSD17B10 Q99714 2/20 0.39
CYP2D6 P10635 7/20 0.39
MAOA P21397 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
HTR3A P46098 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
SCHEMBL11146021 0.88 LMNA (0.47) ALOX15LMNACHRM2CYP2C19CHRNB2
SCHEMBL8939915 0.84 CYP2D6 (0.51) ALOX15LMNACHRM2CYP2C19CHRNB2
SCHEMBL28997029 0.84 DNM1 (0.46) ALOX15LMNACHRM2CYP2C19CHRNB2
SCHEMBL28163979 0.84 DNM1 (0.46) ALOX15LMNACHRM2CYP2C19CHRNB2
SCHEMBL28537728 0.82 CHRNB2 (0.41) ALOX15LMNACHRM2CYP2C19CHRNB2
SCHEMBL26300274 0.80 ALDH1A1 (0.54) LMNACHRM2CHRNB2CHRNA4CHRM4
SCHEMBL6407909 0.80 CHRNB2 (0.40) ALOX15LMNACHRM2CYP2C19CHRNB2
SCHEMBL31298793 0.79 LMNA (0.55) ALOX15LMNACHRM2CYP2C19CHRNB2
SCHEMBL26521321 0.79 CHRNB2 (0.61) ALOX15LMNACHRM2CYP2C19CHRNB2
SCHEMBL11861419 0.78 NAAA (0.52) LMNACHRM2CYP2C19CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1266900-A1 Carbamates of rapamycin Wyeth (US) 2002-12-18 EP disclosed
EP-0593227-A1 Carbamates of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-20 EP disclosed
US-5302584-A Immunosuppressants AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-12 US disclosed