SCHEMBL4595102

SCHEMBL4595102

CC1(C)C[C@@H]2CC(C)(CN2C(=O)c2ccc3[nH]c(CCc4nc(C5CC5)no4)cc3c2)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
AVPR2 P30518 9/20 0.43
AVPR1A P37288 9/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.41
HSD11B1 P28845 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
SCHEMBL1306910 0.81 MEN1 (0.45) LMNAAVPR2AVPR1AMEN1KMT2A
SCHEMBL4595573 0.79 LMNA (0.47) LMNAAVPR2AVPR1AMEN1KMT2A
SCHEMBL1307429 0.74 LMNA (0.57) LMNAAVPR2AVPR1AMEN1KMT2A
SCHEMBL1308282 0.72 LMNA (0.61) LMNAAVPR2AVPR1AMEN1KMT2A
SCHEMBL1307924 0.71 LMNA (0.54) LMNAAVPR2AVPR1AMEN1KMT2A
SCHEMBL1306946 0.70 LMNA (0.48) LMNAAVPR2AVPR1AMEN1KMT2A
SCHEMBL3455659 0.70 LMNA (0.60) LMNAAVPR2AVPR1AMEN1KMT2A
SCHEMBL3455832 0.70 HSD11B1 (0.56) LMNAAVPR2AVPR1AMEN1KMT2A
SCHEMBL3456861 0.69 AVPR1A (0.62) LMNAAVPR2AVPR1AMEN1KMT2A
SCHEMBL4594629 0.69 LMNA (0.39) LMNAAVPR2AVPR1AMEN1KMT2A

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 claimed
WO-2007051811-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES TRANSTECH PHARMA (US) 2007-05-10 WO claimed