SCHEMBL9153616

SCHEMBL9153616

CC(C(=O)N1CCCc2ccccc21)N(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.58
▸ ALDH1A1 P00352 7/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ NPSR1 Q6W5P4 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ RECQL P46063 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ GRM7 Q14831 1/20 0.44
▸ NOTUM Q6P988 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ PKM P14618 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
SCHEMBL9153602 0.83 KMT2A (0.53) MAPTALDH1A1NPSR1KMT2AMEN1
SCHEMBL9157003 0.79 ALDH1A1 (0.61) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL9155385 0.75 ALDH1A1 (0.47) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL9154000 0.73 ALDH1A1 (0.56) ALDH1A1MAPK1KMT2AMEN1LMNA
SCHEMBL9153991 0.73 ALDH1A1 (0.56) ALDH1A1MAPK1KMT2AMEN1LMNA
SCHEMBL9158335 0.73 MEN1 (0.44) MAPTALDH1A1NPSR1KMT2AMEN1
SCHEMBL5292795 0.72 ALDH1A1 (0.61) ALDH1A1MAPK1KMT2AMEN1CYP3A4
SCHEMBL9158466 0.72 MEN1 (0.49) ALDH1A1MAPK1NPSR1KMT2AMEN1
SCHEMBL9152819 0.72 TSHR (0.60) MAPTALDH1A1MAPK1NPSR1KMT2A
SCHEMBL9155455 0.72 NPSR1 (0.42) MAPTALDH1A1NPSR1KMT2AMEN1

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
US-5382590-A Gastrointestinal disorders and nervous system disorders RHONE-POULENC RORER S.A. (FR) 1995-01-17 — — US disclosed
Send feedback