SCHEMBL4594952

SCHEMBL4594952

CC(Cn1ccc2cc(C(=O)N3CC4(C)CC3CC(C)(C)C4)ccc21)C(=O)O.CC1(C)CC2CC(C)(CN2C(=O)c2ccc3c(ccn3Cc3cccc(C(=O)O)c3)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
AVPR1A P37288 13/20 0.44
AVPR2 P30518 9/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.42
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL1308055 0.93 LMNA (0.56) LMNAAVPR1AAVPR2ALDH1A1MEN1
SCHEMBL1306702 0.90 ALDH1A1 (0.53) LMNAAVPR1AAVPR2ALDH1A1MEN1
SCHEMBL4594956 0.88 LMNA (0.47) LMNAAVPR1AAVPR2ALDH1A1MEN1
SCHEMBL3454916 0.86 AVPR1A (0.56) LMNAAVPR1AAVPR2ALDH1A1MEN1
SCHEMBL1307671 0.85 ALDH1A1 (0.53) LMNAAVPR1AAVPR2ALDH1A1MEN1
SCHEMBL4204995 0.84 LMNA (0.53) LMNAAVPR1AAVPR2ALDH1A1MEN1
SCHEMBL1307883 0.81 ALDH1A1 (0.55) LMNAAVPR1AAVPR2ALDH1A1MEN1
SCHEMBL3456081 0.79 AVPR1A (0.54) LMNAAVPR1AAVPR2ALDH1A1MEN1
SCHEMBL3455696 0.78 ALDH1A1 (0.51) LMNAAVPR1AAVPR2ALDH1A1MEN1
SCHEMBL1308165 0.78 ALDH1A1 (0.56) LMNAAVPR1AAVPR2ALDH1A1MEN1

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
EP-1945207-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES Transtech Pharma, Inc. (US) 2008-07-23 EP disclosed
WO-2007051811-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES TRANSTECH PHARMA (US) 2007-05-10 WO disclosed