SCHEMBL7985330

SCHEMBL7985330

COC(=O)c1ccc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 2/20 0.57
CACNA1B Q00975 1/20 0.55
RBP4 P02753 2/20 0.54
POLB P06746 3/20 0.54
LMNA P02545 2/20 0.54
HPGD P15428 1/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 2/20 0.54
MAPT P10636 2/20 0.54
HTT P42858 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
KMT2A Q03164 2/20 0.53
SERPINE1 P05121 1/20 0.52
MEN1 O00255 1/20 0.52
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
PHGDH O43175 1/20 0.50
MGLL Q99685 1/20 0.48

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
SCHEMBL7982517 0.90 RBP4 (0.54) NPY2RRBP4POLBLMNAHPGD
SCHEMBL7971528 0.89 KMT2A (0.66) NPY2RRBP4POLBLMNAALDH1A1
SCHEMBL7985106 0.89 NPY2R (0.56) NPY2RRBP4LMNAHPGDALDH1A1
SCHEMBL7985451 0.85 ALDH1A1 (0.54) NPY2RRBP4LMNAHPGDALDH1A1
SCHEMBL7982405 0.82 KMT2A (0.53) NPY2RRBP4HPGDALDH1A1MAPT
Hydrochloric Acid SCHEMBL6137329 0.81 NPY2R (0.51) NPY2RRBP4POLBLMNAHPGD
SCHEMBL7982477 0.81 SLC9A1 (0.69) NPY2RRBP4ALDH1A1KMT2A
SCHEMBL7985104 0.80 TSHR (0.58) NPY2RPOLBLMNAALDH1A1SMN1; SMN2
SCHEMBL7971257 0.80 ALDH1A1 (0.59) RBP4POLBLMNAHPGDALDH1A1
SCHEMBL4278043 0.80 WDR5 (0.52) RBP4HPGDALDH1A1SMN1; SMN2MAPT

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-6323207-B1 TREATMENT OR REDUCTION OF TISSUE DAMAGE DUE TO ISCHAEMIA WHICH COMPRISES ADMINISTERING TO A HOST SUFFERING FROM ISCHAEMIA BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-27 US disclosed