SCHEMBL5149397

SCHEMBL5149397

OC1(CCc2ccc(Cl)cc2)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.42
OPRM1 P35372 2/20 0.41
OPRL1 P41146 2/20 0.41
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
HDAC4 P56524 1/20 0.39
DRD2 P14416 2/20 0.38
SLC6A4 P31645 3/20 0.38
IGF1R P08069 1/20 0.38
ALOX15 P16050 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HSD11B1 P28845 1/20 0.38
SLC6A2 P23975 2/20 0.38
HTR1A P08908 1/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL13097377 0.82 ESR1 (0.50) TAAR1OPRM1OPRL1HTR3ASLC6A4
SCHEMBL4270075 0.81 ESR1 (0.48) TAAR1OPRM1OPRL1HTR3ASLC6A4
SCHEMBL9135022 0.80 GRIN2D (0.49) OPRM1OPRL1HDAC4DRD2SLC6A4
SCHEMBL17493640 0.78 OPRM1 (0.58) OPRM1OPRL1MEN1KMT2AMAOB
SCHEMBL4989701 0.78 OPRM1 (0.58) OPRM1OPRL1MEN1KMT2AMAOB
SCHEMBL13097331 0.78 ESR1 (0.50) TAAR1OPRM1OPRL1HTR3ASLC6A4
SCHEMBL25342809 0.78 GRIN2D (0.48) OPRM1OPRL1HDAC4DRD2SLC6A4
Hydrochloric Acid SCHEMBL27656058 0.77 OPRM1 (0.59) OPRM1OPRL1MEN1KMT2AMAOB
SCHEMBL4204848 0.76 OPRM1 (0.60) OPRM1OPRL1ALOX15SLC6A3HSD11B1
SCHEMBL16249349 0.76 GRIN2D (0.49) OPRM1OPRL1HDAC4DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515945-A4 METHOD FOR MAKING ARYL HYDRAZINES AND SUBSTITUTED INDOLES RHODIA PHARMA SOLUTION INC FOR (US) 2007-07-18 EP disclosed
EP-1515945-A2 METHOD FOR MAKING ARYL HYDRAZINES AND SUBSTITUTED INDOLES Rhodia Pharma Solution Inc., (formally Rhodia Chirex Inc.) (US) 2005-03-23 EP disclosed
WO-2004000218-A2 METHOD FOR MAKING ARYL HYDRAZINES AND SUBSTITUTED INDOLES RHODIA PHARMA SOLUTIONS INC., (FORMALLY RHODIA CHIREX INC.) (US) 2003-12-31 WO disclosed
US-6489512-B1 REACTING AROMATIC COMPOUND BEARING ACTIVATED CARBON ATOM AND HYDRAZONE IN PRESENCE OF TRANSITION METAL CATALYST TO FORM ARYL HYDRAZONE, HYDROLYZING TO FORM ARYL HYDRAZINE, CYCLIZING IN PRESENCE OF ACID CATALYST TO FORM SUBSTITUTED INDOLE RHODIA CHIREX INC. 2002-12-03 US disclosed