SCHEMBL7472995

SCHEMBL7472995

Cc1ccc(S(=O)(=O)n2cc(C(C)C3CCCN3)c3cc(Br)ccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.48
KLK7 P49862 2/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
KDM1A O60341 1/20 0.40

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
SCHEMBL8209795 0.89 HTR6 (0.49) HTR6KLK7CYP3A4CYP2D6KDM1A
SCHEMBL8208544 0.84 HTR6 (0.44) HTR6KLK7KDM1A
SCHEMBL8483101 0.81 HTR6 (0.43) HTR6KLK7KDM1A
SCHEMBL8208598 0.80 HTR6 (0.48) HTR6KDM1A
SCHEMBL22632714 0.80 HTR6 (0.54) HTR6KLK7CYP3A4CYP2D6KDM1A
SCHEMBL8209521 0.80 HTR6 (0.51) HTR6KDM1A
SCHEMBL8200945 0.80 HTR6 (0.47) HTR6KLK7
SCHEMBL8208533 0.79 HTR6 (0.57) HTR6
SCHEMBL8201582 0.79 HTR6 (0.50) HTR6CYP3A4CYP2D6KDM1A
SCHEMBL7484423 0.78 HTR6 (0.39) HTR6KLK7KDM1A

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-0975594-B1 PROCESS FOR THE PRODUCTION OF INDOLE DERIVATIVES PFIZER LTD (GB) 2002-09-18 EP disclosed
US-6281357-B1 HEADACHE THERAPY PFIZER INC 2001-08-28 US disclosed
EP-0975594-A1 PROCESS FOR THE PRODUCTION OF INDOLE DERIVATIVES Pfizer Limited (GB) 2000-02-02 EP disclosed
WO-1999002493-A1 PROCESS FOR THE PRODUCTION OF INDOLE DERIVATIVES PFIZER LIMITED (GB) 1999-01-21 WO disclosed