SCHEMBL8536265

SCHEMBL8536265

NC1(C(=O)O)CCC(I)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 8/20 0.59
GRM2 Q14416 4/20 0.59
GRM3 Q14832 4/20 0.59
CYP1A2 P05177 4/20 0.59
CYP2C19 P33261 3/20 0.59
ALOX15 P16050 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
GRM8 O00222 2/20 0.59
GRM6 O15303 2/20 0.59
LMNA P02545 1/20 0.59
GRM5 P41594 1/20 0.59
MTOR P42345 1/20 0.59
GRM1 Q13255 1/20 0.59
PLCB1 Q9NQ66 1/20 0.59
TSHR P16473 1/20 0.59
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL8531621 0.86 GRM4 (0.52) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL7938625 0.81
SCHEMBL2809553 0.76 GRM4 (0.61) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL29952657 0.76 GRM4 (0.61) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL29952939 0.76 GRM4 (0.61) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL25492415 0.74 GRM4 (0.59) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL935371 0.74 GRM4 (1.00) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL4835874 0.74 GRM4 (1.00) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL481144 0.74 GRM4 (1.00) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL235442 0.74 GRM4 (1.00) GRM4GRM2GRM3CYP1A2CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817776-A TECHNETIUM 99 COMPLEXES, SINGLE PHOTON EMISSION TOMOGRAPHY EMORY UNIVERSITY (US) 1998-10-06 US disclosed
US-5808146-A Amino acid analogs for tumor imaging EMORY UNIVERSITY (US) 1998-09-15 US disclosed