SCHEMBL8655877

SCHEMBL8655877

C#CC1=CCc2ccc(OC)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
METAP1 P53582 3/20 0.41
ACHE P22303 1/20 0.41
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MPI P34949 1/20 0.38
MPO P05164 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
CYP19A1 P11511 2/20 0.35
CYP11B2 P19099 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35

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
SCHEMBL18537152 0.75 NQO2 (0.46) NQO2MTNR1AMTNR1BMETAP1ACHE
SCHEMBL14613213 0.71 MPO (0.59) NQO2MTNR1AMTNR1BMETAP1ACHE
SCHEMBL14447257 0.71 MTNR1B (0.46) NQO2MTNR1AMTNR1BMETAP1ACHE
SCHEMBL11809364 0.69 METAP1 (0.46) METAP1ACHEALDH1A1KDM4EDRD2
SCHEMBL9282321 0.69 HTR6 (0.37) CA1CA2
SCHEMBL8349133 0.68 NQO2 (0.62) NQO2MTNR1AMTNR1BMETAP1ACHE
SCHEMBL11769186 0.68 NQO2 (0.59) NQO2MTNR1AMTNR1BMETAP1ACHE
SCHEMBL11769868 0.68 NQO2 (0.59) NQO2MTNR1AMTNR1BMETAP1ACHE
SCHEMBL7034109 0.68 DRD2 (0.41) NQO2MTNR1AMTNR1BMETAP1ACHE
SCHEMBL5981019 0.68 MPO (0.48) MTNR1BMETAP1ACHEMAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0843670-A1 1-[2-(2,3-DIHYDRO-1H-INDEN-1-YL)ETHYL]-4-(NAPHTHALEN-1-YL)PIPERAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1998-05-27 EP disclosed
WO-1997006155-A1 1-[2-(2,3-DIHYDRO-1H-INDEN-1-YL)ETHYL]-4-(NAPHTHALEN-1-YL)PIPERAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1997-02-20 WO disclosed
EP-0668273-A1 Derivatives of 1-2-(1H-inden-3-yl)ethyl-4-(naphtalen-1-yl)-piperazin, their preparation and their therapeutical use SYNTHELABO (FR) 1995-08-23 EP disclosed