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SCHEMBL30522902

SCHEMBL30522902

C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](c2ccc(F)cc2)CN1.C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](c2ccc(F)cc2)CN1C(=O)C1(C)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 4/20 0.36
▸ TACR1 P25103 3/20 0.34
▸ NR1H2 P55055 3/20 0.32
▸ NR1H3 Q13133 3/20 0.32
▸ HDAC2 Q92769 3/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ MC4R P32245 1/20 0.31
▸ MC5R P33032 1/20 0.31
▸ BRD3 Q15059 1/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30
▸ GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL25326809 0.92 RORC (0.41) RORCTACR1NR1H2NR1H3HDAC2
SCHEMBL25327905 0.92 RORC (0.41) RORCTACR1NR1H2NR1H3HDAC2
SCHEMBL30522971 0.92 RORC (0.41) RORCTACR1NR1H2NR1H3HDAC2
SCHEMBL25327901 0.92 RORC (0.41) RORCTACR1NR1H2NR1H3HDAC2
SCHEMBL25326815 0.92 RORC (0.41) RORCTACR1NR1H2NR1H3HDAC2
SCHEMBL30522909 0.91 NR1H2 (0.40) RORCNR1H2NR1H3GPR119
SCHEMBL30522994 0.88 RORC (0.35) RORCTACR1NR1H2NR1H3HDAC2
SCHEMBL30523072 0.87 TACR1 (0.35) RORCTACR1NR1H2NR1H3SIGMAR1
SCHEMBL25326002 0.86 TACR1 (0.41) RORCTACR1NR1H2NR1H3HDAC2
SCHEMBL25326005 0.86 TACR1 (0.41) RORCTACR1NR1H2NR1H3HDAC2

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
EP-4469445-A1 COMPOUNDS AND METHODS OF USE Tango Therapeutics, Inc. (US) 2024-12-04 — — EP disclosed