SCHEMBL19785975

SCHEMBL19785975

Cc1cc(N)c(C)c(CN2CCN(C(=O)C3CCC3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
RORC P51449 10/20 0.47
DHODH Q02127 9/20 0.47
MTNR1B P49286 1/20 0.46
HSD11B1 P28845 1/20 0.45
CNR1 P21554 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL18658594 0.86 RORC (0.55) L3MBTL1RORCDHODHMTNR1BHSD11B1
SCHEMBL19785609 0.85 L3MBTL1 (0.50) L3MBTL1RORCDHODHMTNR1BHSD11B1
SCHEMBL19786042 0.83 RORC (0.53) L3MBTL1RORC
SCHEMBL21354320 0.81 RORC (0.55) RORCTSHR
SCHEMBL30642978 0.78 RORC (0.49) L3MBTL1RORCDHODHMTNR1BALDH1A1
SCHEMBL19785596 0.76 FGFR1 (0.45) ALDH1A1KDM4E
SCHEMBL19785782 0.76 MGLL (0.41) MTNR1BALDH1A1KDM4E
SCHEMBL18658614 0.75 RORC (0.62) L3MBTL1RORCDHODHMTNR1B
SCHEMBL22383772 0.75 RORC (0.53) L3MBTL1RORCDHODH
SCHEMBL20614080 0.74 RORC (0.46) L3MBTL1RORCDHODHMTNR1BALDH1A1

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