SCHEMBL7985104

SCHEMBL7985104

COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3OC)CC2)c(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.58
LMNA P02545 3/20 0.58
NPY2R P49146 3/20 0.55
S1PR1 P21453 1/20 0.53
HTT P42858 1/20 0.52
TYR P14679 1/20 0.51
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 2/20 0.51
ALOX15 P16050 1/20 0.51
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 2/20 0.48
RAB9A P51151 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 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
SCHEMBL7971528 0.86 KMT2A (0.66) TSHRLMNANPY2RHTTALDH1A1
Hydrochloric Acid SCHEMBL6137360 0.85 S1PR1 (0.51) TSHRLMNANPY2RS1PR1HTT
SCHEMBL7985451 0.84 ALDH1A1 (0.54) LMNANPY2RHTTALDH1A1KMT2A
SCHEMBL7985106 0.82 NPY2R (0.56) LMNANPY2RALDH1A1KMT2AKDM4E
SCHEMBL7985215 0.81 L3MBTL1 (0.51) NPY2RHTTALDH1A1NPC1KMT2A
SCHEMBL7985330 0.80 NPY2R (0.57) LMNANPY2RHTTALDH1A1KMT2A
SCHEMBL7982477 0.80 SLC9A1 (0.69) NPY2RALDH1A1NPC1KMT2ACYP2C19
SCHEMBL7982517 0.80 RBP4 (0.54) LMNANPY2RHTTALDH1A1KMT2A
SCHEMBL7971257 0.80 ALDH1A1 (0.59) TSHRLMNAHTTALDH1A1NPC1
SCHEMBL7982405 0.80 KMT2A (0.53) NPY2RHTTALDH1A1NPC1KMT2A

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