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SCHEMBL25326396

SCHEMBL25326396

CC1CN(C(=O)C(F)(F)F)C(c2ccc(F)cc2)CN1.CC1CN(C(=O)C(F)(F)F)C(c2ccc(F)cc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 3/20 0.37
▸ RORC P51449 4/20 0.35
▸ NR1H2 P55055 4/20 0.33
▸ NR1H3 Q13133 4/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ ABHD6 Q9BV23 1/20 0.32
▸ HTR2C P28335 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL25326310 1.00 TACR1 (0.37) TACR1RORCNR1H2NR1H3GPR119
SCHEMBL25328193 0.91 TACR1 (0.41) TACR1RORCNR1H2NR1H3GPR119
SCHEMBL25917992 0.91 TACR1 (0.41) TACR1RORCNR1H2NR1H3GPR119
SCHEMBL30523072 0.89 TACR1 (0.35) TACR1RORCNR1H2NR1H3SIGMAR1
SCHEMBL25326564 0.88 GAA (0.35) RORCNR1H2NR1H3HTR2CHTR2B
SCHEMBL30522985 0.88 TACR1 (0.36) TACR1RORCNR1H2NR1H3GPR119
SCHEMBL25326385 0.88 TACR1 (0.36) TACR1RORCNR1H2NR1H3GPR119
SCHEMBL25326980 0.88 TACR1 (0.35) TACR1RORCNR1H2NR1H3GPR119
SCHEMBL25326002 0.87 TACR1 (0.41) TACR1RORCNR1H2NR1H3HTR2C
SCHEMBL25326005 0.87 TACR1 (0.41) TACR1RORCNR1H2NR1H3HTR2C

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-2023146991-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed