SCHEMBL21765671

SCHEMBL21765671

O=C(CBr)NC1CCC(NC(=O)CBr)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
TSHR P16473 2/20 0.44
HPGD P15428 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
HTT P42858 2/20 0.42
POLB P06746 2/20 0.41
DHODH Q02127 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TAOK1 Q7L7X3 1/20 0.40
TAOK3 Q9H2K8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL600235 0.85 ALDH1A1 (0.61) ALDH1A1TSHRHPGDTAS1R3TAS1R1
SCHEMBL6390944 0.85 ALDH1A1 (0.61) ALDH1A1TSHRHPGDTAS1R3TAS1R1
SCHEMBL4010530 0.82 ALDH1A1 (0.74) ALDH1A1TSHRHPGDHTTPOLB
SCHEMBL4003611 0.82 ALDH1A1 (0.74) ALDH1A1TSHRHPGDHTTPOLB
SCHEMBL4009579 0.82 ALDH1A1 (0.74) ALDH1A1TSHRHPGDHTTPOLB
SCHEMBL21765891 0.81 MTNR1A (0.51) ALDH1A1TSHRHPGDTAS1R3TAS1R1
SCHEMBL7469538 0.80 ALDH1A1 (0.46) ALDH1A1TSHRHPGD
SCHEMBL23518507 0.77 ALDH1A1 (0.46) ALDH1A1TSHRHPGDTAS1R3TAS1R1
SCHEMBL21765892 0.76 MTNR1A (0.47) ALDH1A1TSHR
SCHEMBL12828264 0.75 ALDH1A1 (0.43) ALDH1A1TSHRHPGDTAS1R3TAS1R1

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
WO-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed