SCHEMBL22298024

SCHEMBL22298024

CC[C@@H]1CCc2ccccc2N1C

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.61
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
CDK4 P11802 1/20 0.43
ALOX15 P16050 1/20 0.43
CCND1 P24385 1/20 0.43

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
SCHEMBL22364516 1.00 MTNR1A (0.61) MTNR1APOLBL3MBTL1MEN1ALDH1A1
SCHEMBL21081149 0.86 MTNR1A (0.58) MTNR1APOLBL3MBTL1MEN1ALDH1A1
SCHEMBL9470084 0.84 MTNR1A (0.59) MTNR1APOLBL3MBTL1MEN1ALDH1A1
SCHEMBL431801 0.84 MTNR1A (0.56) MTNR1APOLBL3MBTL1MEN1ALDH1A1
Hydrochloric Acid SCHEMBL6445199 0.83 MTNR1A (0.55) MTNR1APOLBL3MBTL1MEN1ALDH1A1
SCHEMBL29058373 0.82 MTNR1A (0.54) MTNR1APOLBL3MBTL1MEN1ALDH1A1
SCHEMBL30395009 0.82 MTNR1A (0.54) MTNR1APOLBL3MBTL1MEN1ALDH1A1
SCHEMBL30395273 0.82 MTNR1A (0.54) MTNR1APOLBL3MBTL1MEN1ALDH1A1
SCHEMBL10193173 0.81 MTNR1A (0.46) MTNR1A
SCHEMBL19337132 0.81 MTNR1A (0.46) MTNR1A

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-3689860-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-08-05 EP disclosed