SCHEMBL9239085

SCHEMBL9239085

Cc1ccc(S(=O)(=O)n2cc(CCCN)c3ccccc32)cc1

nearest known ligand 0.86

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.86
ALK Q9UM73 1/20 0.58
KDM4E B2RXH2 1/20 0.57
UBE2N P61088 1/20 0.57
CYP19A1 P11511 1/20 0.57
HTR1A P08908 1/20 0.57
DRD2 P14416 1/20 0.57
HTR1D P28221 1/20 0.57
HTR1B P28222 1/20 0.57
HTR1F P30939 1/20 0.57
HTR7 P34969 1/20 0.57
DRD3 P35462 1/20 0.57

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
SCHEMBL15250049 0.92 HTR6 (1.00) HTR6ALK
SCHEMBL31366254 0.88 HTR6 (0.73) HTR6ALKKDM4EUBE2NCYP19A1
SCHEMBL16375238 0.86 HTR6 (0.79) HTR6ALKKDM4EUBE2NCYP19A1
SCHEMBL28930519 0.85 HTR6 (0.70) HTR6ALKKDM4EUBE2NCYP19A1
SCHEMBL27936448 0.85 HTR6 (0.77) HTR6ALKKDM4EUBE2NCYP19A1
SCHEMBL946516 0.83 HTR6 (0.74) HTR6ALKKDM4EUBE2NCYP19A1
SCHEMBL28244706 0.82 HTR6 (0.73) HTR6ALKKDM4EUBE2NCYP19A1
SCHEMBL12700490 0.82 HTR6 (0.72) HTR6ALKKDM4EUBE2NCYP19A1
SCHEMBL945595 0.82 HTR6 (0.72) HTR6ALKKDM4EUBE2NCYP19A1
SCHEMBL2132873 0.82 HTR6 (0.72) HTR6ALKKDM4EUBE2NCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5463105-A Therapy for cardiovascular, nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
US-5298513-A Serotonin antagonist BAYER AKTIENGESELLSCHAFT (DE) 1994-03-29 US disclosed
EP-0270947-B1 SUBSTITUTED BASIC 2-AMINOTETRALINES BAYER AG (DE) 1993-05-19 EP disclosed
US-5153225-A For treating disorders of the central nervous system, cardiovascular system and intestinal tract BAYER AKTIENGESELLSCHAFT (DE) 1992-10-06 US disclosed
US-5026857-A Cetnral nervous system disorders; antiserotonine agent BAYER AKTIENGESELLSCHAFT (DE) 1991-06-25 US disclosed
US-4880802-A CENTRAL NERVOUS SYSTEM BAYER AKTIENGESELLSCHAFT (DE) 1989-11-14 US disclosed
EP-0270947-A2 Substituted basic 2-aminotetralines BAYER AG (DE) 1988-06-15 EP disclosed