SCHEMBL17082000

SCHEMBL17082000

Cc1ccccc1N1CCN(C(=O)N2CCC[C@@]3(CCN([C@H]4CC[C@H](O)CC4)C3=O)C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TSHR P16473 1/20 0.45
LMNA P02545 1/20 0.44
AVPR1A P37288 5/20 0.40
PKM P14618 1/20 0.40
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
SLC18A3 Q16572 1/20 0.39
ALDH1A1 P00352 1/20 0.39
AR P10275 2/20 0.39
ADAMTS5 Q9UNA0 1/20 0.38

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
SCHEMBL550405 1.00 AKR1C3 (0.47) AKR1C3KMT2AMEN1TSHRLMNA
SCHEMBL550406 1.00 AKR1C3 (0.47) AKR1C3KMT2AMEN1TSHRLMNA
SCHEMBL550502 0.89 AKR1C3 (0.46) AKR1C3KMT2AMEN1TSHRLMNA
SCHEMBL550501 0.89 AKR1C3 (0.46) AKR1C3KMT2AMEN1TSHRLMNA
SCHEMBL17081996 0.89 AKR1C3 (0.46) AKR1C3KMT2AMEN1TSHRLMNA
SCHEMBL549552 0.89 SMN1; SMN2 (0.41) KMT2AMEN1TSHRLMNAFAAH
SCHEMBL549553 0.89 SMN1; SMN2 (0.41) KMT2AMEN1TSHRLMNAFAAH
SCHEMBL550452 0.88 AKR1C3 (0.49) AKR1C3KMT2ATSHRLMNAALDH1A1
SCHEMBL17082047 0.88 AKR1C3 (0.49) AKR1C3KMT2ATSHRLMNAALDH1A1
SCHEMBL550451 0.88 AKR1C3 (0.49) AKR1C3KMT2ATSHRLMNAALDH1A1

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
EP-1812005-B1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-09-16 EP disclosed