SCHEMBL20879820

SCHEMBL20879820

Cc1cccc(C)c1C(=O)N1CCCC(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H]1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.56
▸ MAPT P10636 2/20 0.56
▸ ALDH1A1 P00352 4/20 0.46
▸ KMT2A Q03164 4/20 0.45
▸ HTT P42858 1/20 0.45
▸ MCL1 Q07820 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HCRTR1 O43613 2/20 0.43
▸ HCRTR2 O43614 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ THRB P10828 1/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL14960479 0.88 LMNA (0.55) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL18532547 0.88 LMNA (0.55) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL25132655 0.88 LMNA (0.55) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL25133886 0.86 MEN1 (0.49) LMNAMAPTKMT2AMEN1HCRTR1
SCHEMBL24016940 0.85 UBE2M (0.52) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL13326615 0.84 LMNA (0.49) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL12176346 0.84 LMNA (0.49) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL25132781 0.84 CYP2C19 (0.47) LMNAMAPTMAPK1HCRTR1HCRTR2
SCHEMBL12176584 0.83 LMNA (0.52) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL18609355 0.81 ALDH1A1 (0.53) LMNAMAPTALDH1A1KMT2AHTT

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-3508477-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2021-11-10 — — EP disclosed
EP-3078658-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2019-04-10 — — EP disclosed
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