SCHEMBL8064068

SCHEMBL8064068

N[C@H](Cc1ccc2ccccc2c1)C(=O)OC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ TACR1 P25103 1/20 0.40
▸ OPRD1 P41143 1/20 0.39
▸ MC4R P32245 2/20 0.39
▸ MC5R P33032 2/20 0.39
▸ MC3R P41968 2/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ SLC1A3 P43003 1/20 0.38
▸ SLC1A2 P43004 1/20 0.38
▸ SLC1A1 P43005 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ FABP7 O15540 2/20 0.37
▸ FABP5 Q01469 2/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ EPHX1 P07099 1/20 0.35

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
SCHEMBL2820518 0.82 ACACB (0.40) KMT2AEPHX2PTPN1FABP7FABP5
SCHEMBL18301502 0.81 KMT2A (0.40) DPP4KMT2AEPHX2PTPN1FABP7
SCHEMBL18986722 0.81 EPHX2 (0.42) KMT2AEPHX2FABP7FABP5CA1
SCHEMBL9359183 0.81 ALDH1A1 (0.44) KMT2AHTR2AEPHX2PTPN1FABP7
SCHEMBL5035599 0.80 KMT2A (0.40) KMT2ATACR1EPHX2SLC1A3SLC1A2
SCHEMBL28094649 0.79 SLC1A3 (0.42) KMT2AHTR2AHTR2CHTR2BEPHX2
SCHEMBL8933068 0.78 PTPN1 (0.54) KMT2APTPN1
SCHEMBL599716 0.78 EPHX2 (0.38) KMT2AEPHX2CA1CA2
SCHEMBL245249 0.77 HTR2A (0.55) DPP4HTR2AHTR2CHTR2BTACR1
SCHEMBL466696 0.77 HTR2A (0.55) DPP4HTR2AHTR2CHTR2BTACR1

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
EP-1025127-A1 MSH-RECEPTOR SUBTYPE SELECTIVE CYCLIC PEPTIDES Wapharm AB (SE) 2000-08-09 — — EP disclosed
WO-1998037097-A1 MSH-RECEPTOR SUBTYPE SELECTIVE CYCLIC PEPTIDES WAPHARM AB (SE) 1998-08-27 — — WO disclosed
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