SCHEMBL549778

SCHEMBL549778

O=C1N([C@H]2CC[C@H](O)CC2)CCC12CCCN(c1cccc(C(F)(F)F)c1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.46
HSD11B1 P28845 1/20 0.45
POLB P06746 1/20 0.44
NOTUM Q6P988 1/20 0.43
NR5A2 O00482 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR1A P08908 1/20 0.40
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR1D P28221 1/20 0.39
HTR2C P28335 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 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
SCHEMBL3706615 1.00 HTR7 (0.46) HTR7HSD11B1POLBNOTUMNR5A2
SCHEMBL549779 1.00 HTR7 (0.46) HTR7HSD11B1POLBNOTUMNR5A2
SCHEMBL2702594 1.00 HTR7 (0.46) HTR7HSD11B1POLBNOTUMNR5A2
SCHEMBL550999 1.00 HTR7 (0.46) HTR7HSD11B1POLBNOTUMNR5A2
SCHEMBL2702591 1.00 HTR7 (0.46) HTR7HSD11B1POLBNOTUMNR5A2
SCHEMBL549281 0.87 HSD11B1 (0.43) HTR7HSD11B1NOTUM
SCHEMBL549280 0.87 HSD11B1 (0.43) HTR7HSD11B1NOTUM
SCHEMBL549196 0.87 POLB (0.50) HTR7POLBALDH1A1MAPTLMNA
SCHEMBL17082141 0.87 POLB (0.50) HTR7POLBALDH1A1MAPTLMNA
SCHEMBL549195 0.87 POLB (0.50) HTR7POLBALDH1A1MAPTLMNA

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-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US claimed