SCHEMBL11821884

SCHEMBL11821884

Cc1[nH]c2ccccc2c1CCC(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.65
▸ LMNA P02545 4/20 0.65
▸ PARP1 P09874 1/20 0.55
▸ MC4R P32245 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ GAA P10253 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HTR1A P08908 1/20 0.51
▸ HTR7 P34969 1/20 0.51
▸ TACR1 P25103 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ HPGD P15428 2/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ MCL1 Q07820 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50

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
SCHEMBL11828042 0.87 GFER (0.55) MAPTLMNAPARP1MC4RNPSR1
SCHEMBL11826994 0.87 TACR1 (0.61) MAPTLMNAPARP1MC4RKMT2A
SCHEMBL11829657 0.83 TACR1 (0.73) LMNAKMT2AMEN1TACR1POLB
SCHEMBL11834886 0.80 GFER (0.54) MAPTLMNAPARP1NPSR1ALDH1A1
SCHEMBL11550991 0.79 TACR1 (0.52) ALDH1A1TACR1POLB
SCHEMBL11333760 0.79 DRD2 (0.69) MAPTLMNANPSR1ALDH1A1KMT2A
SCHEMBL11825414 0.78 DRD2 (0.61) MAPTPARP1ALDH1A1KMT2AKDM4E
SCHEMBL30343681 0.77 ALDH1A1 (0.71) MAPTALDH1A1KMT2AKDM4EGAA
SCHEMBL1740428 0.77 ALDH1A1 (0.71) MAPTALDH1A1KMT2AKDM4EGAA
SCHEMBL11335727 0.76 ESR1 (0.61) MAPTLMNAPARP1NPSR1ALDH1A1

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-3933824-A Piperazinobutyrophenone derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-01-20 — — US disclosed
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