SCHEMBL10258980

SCHEMBL10258980

C[C@H](c1ccccc1)N1CC2N(C(=O)CN(C)N2C(=O)NCc2ccc(F)cc2)[C@@H](CCC(=O)O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ CYP3A4 P08684 3/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ APLNR P35414 1/20 0.35
▸ GLP1R P43220 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ CLPP Q16740 1/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL750026 1.00 METAP2 (0.39) METAP2ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL749159 1.00 METAP2 (0.39) METAP2ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL747606 0.97 ALDH1A1 (0.38) METAP2ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL749169 0.97 ALDH1A1 (0.38) METAP2ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL762965 0.94 CLPP (0.38) ALDH1A1KMT2ACYP3A4CLPP
SCHEMBL747474 0.94 CLPP (0.38) ALDH1A1KMT2ACYP3A4CLPP
SCHEMBL747186 0.93 METAP2 (0.40) METAP2ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL746174 0.93 METAP2 (0.40) METAP2ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL746033 0.92 ALDH1A1 (0.39) METAP2ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL749196 0.92 ALDH1A1 (0.39) METAP2ALDH1A1MEN1KMT2ACYP3A4

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-8101751-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-01-24 — — US disclosed
US-8101751-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-01-24 — — US disclosed
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