SCHEMBL8972003

SCHEMBL8972003

CC(CNN)Oc1cccc(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.49
MTNR1B P49286 7/20 0.49
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
AOC3 Q16853 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL3953294 0.85 MTNR1A (0.59) MTNR1AMTNR1BMAOAAOC3
Hydrochloric Acid SCHEMBL11128673 0.83 MTNR1A (0.57) MTNR1AMTNR1BMAOAAOC3
SCHEMBL11013203 0.80 RXRA (0.51) MTNR1AMTNR1BRXRARXRBMAOA
SCHEMBL11405631 0.79 OGG1 (0.57) MTNR1AMTNR1BAOC3
SCHEMBL8469211 0.76 RXRA (0.72) RXRARXRBMAOAMAOBGABRA1
SCHEMBL25822208 0.74 MTNR1A (0.44) MTNR1AMTNR1BMAOA
SCHEMBL25818072 0.74 MTNR1A (0.44) MTNR1AMTNR1BMAOA
SCHEMBL30201393 0.74 MTNR1A (0.48) MTNR1AMTNR1BRXRARXRBFFAR4
SCHEMBL10552651 0.72 RXRA (0.46) RXRARXRBMAOAMAOBGABRA1
SCHEMBL18903911 0.72 MAPT (0.47) RXRARXRBMAOAMAOBGABRA1

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-0545425-B1 2-(3-Phenylpropyl)hydrazines, intermediates in and a process for the preparation thereof, and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1996-03-20 EP disclosed
US-5268468-A Or optical isomers thereof HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-12-07 US disclosed
US-5229417-A Obsessive compulsive disorders HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-07-20 US disclosed
EP-0545425-A1 2-(3-Phenylpropyl)hydrazines, intermediates in and a process for the preparation thereof, and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-06-09 EP disclosed