SCHEMBL9726244

SCHEMBL9726244

O=S(=O)(c1ccccc1)N(CCCN1CC=C(c2ccccc2)CC1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.50
SIGMAR1 Q99720 3/20 0.47
HTR1A P08908 1/20 0.47
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
PARP1 P09874 2/20 0.43

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
SCHEMBL9726208 0.74 HTR1A (0.48) HTR1APARP1
SCHEMBL5757859 0.74 GAA (0.62) HTR7HTR1AALDH1A1
SCHEMBL354297 0.74 SIGMAR1 (0.58) SIGMAR1HTR1APARP1
SCHEMBL5755950 0.72 CCR3 (0.54) HTR7SIGMAR1
SCHEMBL11175889 0.71 PARP1 (0.55) HTR7SIGMAR1HTR1APARP1
SCHEMBL9726233 0.71 SIGMAR1 (0.61) SIGMAR1HTR1A
SCHEMBL9867159 0.71 SIGMAR1 (0.60) SIGMAR1HTR1A
SCHEMBL5541146 0.71 SIGMAR1 (0.60) SIGMAR1HTR1A
SCHEMBL14601668 0.71 SIGMAR1 (0.60) SIGMAR1HTR1A
SCHEMBL9726237 0.71 SIGMAR1 (0.60) SIGMAR1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5130313-A Central nervous system disorders, cardiovascular disorders or gastrointestinal disorders RHONE-POULENC SANTE (FR) 1992-07-14 US disclosed