SCHEMBL18647239

SCHEMBL18647239

Cc1cc2c(s1)C1(CCN(C(=O)OC(C)(C)C)CC1)OC(C)C2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR119 Q8TDV5 4/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
AVPR1A P37288 1/20 0.36
SCD5 Q86SK9 1/20 0.36
RORC P51449 6/20 0.36
RORB Q92753 3/20 0.36
RORA P35398 2/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 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
SCHEMBL21710567 0.88 GPR119 (0.37) USP2SMN1; SMN2GPR119KDM4EMAPT
SCHEMBL18590704 0.87 RORC (0.38) USP2SMN1; SMN2GPR119SCD5RORC
SCHEMBL18646542 0.87 USP2 (0.35) USP2SMN1; SMN2GPR119KDM4EMAPT
SCHEMBL21710542 0.87 RORC (0.38) USP2SMN1; SMN2GPR119SCD5RORC
SCHEMBL21710554 0.81 USP2 (0.40) USP2SMN1; SMN2GPR119AVPR1ASCD5
SCHEMBL18590703 0.81 USP2 (0.40) USP2SMN1; SMN2GPR119AVPR1ASCD5
SCHEMBL18579748 0.81 USP2 (0.40) USP2SMN1; SMN2GPR119AVPR1ASCD5
SCHEMBL31283114 0.76 USP2 (0.45) USP2SMN1; SMN2GPR119KDM4EMAPT
SCHEMBL18647655 0.75 RORC (0.53) THRBRORCRORBRORA
SCHEMBL21710433 0.75 RORC (0.57) GPR119RORCRORBRORA

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-3347360-B1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T LILLY CO ELI (US) 2019-10-23 EP disclosed
WO-2017044410-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T ELI LILLY AND COMPANY (US) 2017-03-16 WO disclosed