SCHEMBL19785609

SCHEMBL19785609

Cc1c(N)cc(C(F)F)cc1CN1CCN(C(=O)C2CCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
MTNR1B P49286 1/20 0.44
RORC P51449 12/20 0.43
DHODH Q02127 11/20 0.43
HSD11B1 P28845 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL19785975 0.85 L3MBTL1 (0.58) L3MBTL1MTNR1BRORCDHODHHSD11B1
SCHEMBL19785608 0.85 RORC (0.51) RORC
SCHEMBL18658594 0.81 RORC (0.55) L3MBTL1MTNR1BRORCDHODHHSD11B1
SCHEMBL19785787 0.79 MGLL (0.41) ALDH1A1KDM4E
SCHEMBL19785610 0.78 VEGFA (0.42) L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL30642978 0.76 RORC (0.49) L3MBTL1MTNR1BRORCDHODHALDH1A1
SCHEMBL19785934 0.76 RORC (0.47) L3MBTL1RORCDHODH
SCHEMBL21354323 0.74 RORC (0.41) RORC
SCHEMBL19785899 0.74 LMNA (0.42) MEN1KMT2A
SCHEMBL18658614 0.73 RORC (0.62) L3MBTL1MTNR1BRORCDHODH

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-3484880-B1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA AS (DK) 2020-09-02 EP disclosed
WO-2018011201-A1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA A/S (DK) 2018-01-18 WO disclosed