SCHEMBL7674567

SCHEMBL7674567

O=C1CS[C@@H](c2ccc(F)c(F)c2)N1C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.47
GFER P55789 1/20 0.47
CRHR2 Q13324 1/20 0.47
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HTR7 P34969 2/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39
MGLL Q99685 1/20 0.39
MGAM O43451 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 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
SCHEMBL7674563 1.00 CRHBP (0.47) CRHBPGFERCRHR2ALDH1A1KMT2A
SCHEMBL8328132 0.79 MGLL (0.41) MGLLCYP1A2CYP2D6
SCHEMBL6966482 0.78 CYP1A2 (0.42) MGLLCYP1A2CYP2D6
SCHEMBL7232423 0.78 MGLL (0.39) MGLLCYP1A2CYP2D6
SCHEMBL5663686 0.78 MGLL (0.42) MGLLCYP1A2CYP2D6
SCHEMBL5661272 0.78 MGLL (0.42) MGLLCYP1A2CYP2D6
SCHEMBL5661991 0.78 MGLL (0.42) MGLLCYP1A2CYP2D6
SCHEMBL7564445 0.78 MGLL (0.39) MGLLCYP1A2CYP2D6
SCHEMBL7226122 0.77 MGLL (0.42) MGLLCYP1A2CYP2D6
SCHEMBL7225595 0.77 MGLL (0.41) ALDH1A1MGLLCYP1A2CYP2D6

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-6387893-B1 ADRENERGIC BLOCKING AGENT; BENIGN PROSATATIC HYPERPLASIA MERCK & CO., INC. 2002-05-14 US disclosed