SCHEMBL8349133

SCHEMBL8349133

COc1ccc2c(c1)C(CCO)=CC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.62
MTNR1A P48039 2/20 0.62
MTNR1B P49286 2/20 0.62
HTR7 P34969 1/20 0.46
SIGMAR1 Q99720 4/20 0.41
ABCB1 P08183 1/20 0.41
MPO P05164 1/20 0.41
CYP2D6 P10635 2/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MPI P34949 1/20 0.39
ACHE P22303 1/20 0.39
METAP1 P53582 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37

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
Hydrochloric Acid SCHEMBL7784829 0.86 HTR7 (0.58) NQO2MTNR1AMTNR1BHTR7SIGMAR1
SCHEMBL11769186 0.84 NQO2 (0.59) NQO2MTNR1AMTNR1BHTR7SIGMAR1
SCHEMBL11769868 0.84 NQO2 (0.59) NQO2MTNR1AMTNR1BHTR7SIGMAR1
SCHEMBL14613213 0.82 MPO (0.59) NQO2MTNR1AMTNR1BHTR7SIGMAR1
SCHEMBL7820683 0.80 NQO2 (0.61) NQO2MTNR1AMTNR1BMPOALDH1A1
SCHEMBL7784332 0.79 MTNR1A (0.78) NQO2MTNR1AMTNR1BHTR2C
SCHEMBL11768880 0.79 HTR7 (0.49) NQO2MTNR1AMTNR1BHTR7ACHE
SCHEMBL6214526 0.77 NQO2 (0.49) NQO2MTNR1AMTNR1BSIGMAR1ABCB1
SCHEMBL7784380 0.77 MTNR1A (1.00) NQO2MTNR1AMTNR1B
SCHEMBL15032056 0.76 HTR7 (0.45) NQO2MTNR1AMTNR1BHTR7SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929078-A ANTISEROTONINE AGENT SYNTHELABO (FR) 1999-07-27 US disclosed
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
US-5530002-A ANIDEPRESSANT, ANXIOLYTIC AGENT, HYPOTENSIVE AND TREATS DISORDERS LINKED TO ALCOHOLISM, SLEEP, PHOBIAS, OBSESSIVE COMPULSIVE BEHAVIOR AND MIGRAINE SYNTHELABO (FR) 1996-06-25 US 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