SCHEMBL8523939

SCHEMBL8523939

CNC(=O)[C@@H](Cc1ccc(I)cc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.41
SLC6A4 P31645 7/20 0.41
SLC6A3 Q01959 6/20 0.41
KCNH2 Q12809 3/20 0.40
TACR1 P25103 2/20 0.40
MC4R P32245 1/20 0.39
MC3R P41968 1/20 0.39
MC1R Q01726 1/20 0.39
GHSR Q92847 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
BDKRB2 P30411 1/20 0.37
FCER2 P06734 1/20 0.37

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
SCHEMBL8720236 0.84 PTPRB (0.42) TACR1GHSR
SCHEMBL6316892 0.84 TACR1 (0.44) TACR1MC4RMC3RMC1RGHSR
SCHEMBL6326308 0.83 TACR1 (0.43) TACR1MC4RMC3RMC1RGHSR
SCHEMBL8905293 0.82 TACR1 (0.43) TACR1GHSRBDKRB2FCER2
SCHEMBL6318359 0.81 TACR1 (0.42) SLC6A2SLC6A4SLC6A3TACR1MC4R
SCHEMBL6316223 0.80 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3KCNH2TACR1
SCHEMBL8711092 0.80 MMP9 (0.47) TACR1GHSRFCER2
SCHEMBL8717973 0.79 GHSR (0.43) GHSRFCER2
SCHEMBL6319534 0.79 TACR1 (0.43) TACR1MC4RMC3RMC1RGHSR
SCHEMBL7660423 0.79 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3KCNH2TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0833845-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-04-08 EP claimed
WO-1998008492-A1 TRANSDERMAL DELIVERY OF PEPTIDES NOVO NORDISK A/S (DK) 1998-03-05 WO claimed
WO-1997000894-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-01-09 WO claimed
EP-0907374-A1 GROWTH HORMONE COMPONENT AND BONE ANTI-RESORPTIVE AGENT IN CYCLIC (COHERENCE) TREATMENT OF OSTEOPOROSIS NOVO NORDISK A/S (DK) 1999-04-14 EP disclosed
WO-1998008492-A1 TRANSDERMAL DELIVERY OF PEPTIDES NOVO NORDISK A/S (DK) 1998-03-05 WO disclosed
WO-1997046252-A1 GROWTH HORMONE COMPONENT AND BONE ANTI-RESORPTIVE AGENT IN CYCLIC (COHERENCE) TREATMENT OF OSTEOPOROSIS NOVO NORDISK A/S (DK) 1997-12-11 WO disclosed