SCHEMBL30180481

SCHEMBL30180481

NCCCCc1ccc(I)cc1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.60
HRH1 P35367 4/20 0.54
HTR2A P28223 2/20 0.48
CYP3A4 P08684 2/20 0.43
IDO1 P14902 2/20 0.43
SPHK2 Q9NRA0 6/20 0.41
SPHK1 Q9NYA1 6/20 0.41
MAOB P27338 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
SCHEMBL9850657 0.98 MAOA (0.58) MAOAHRH1HTR2ACYP3A4IDO1
SCHEMBL5966793 0.93 MAOA (0.50) MAOAHRH1HTR2ACYP3A4IDO1
SCHEMBL3680378 0.87 MAOA (0.75) MAOAHRH1HTR2AMAOB
SCHEMBL9350714 0.85 MAOA (0.71) MAOAHRH1HTR2AMAOB
SCHEMBL168309 0.82 TAAR1 (0.56) HTR2ACYP3A4IDO1MAOB
SCHEMBL5243221 0.82 CYP3A4 (0.46) HTR2ACYP3A4IDO1SPHK2SPHK1
SCHEMBL18551297 0.81 MAOA (0.60) MAOAHRH1HTR2AMAOB
SCHEMBL3678682 0.79 MAOA (0.62) MAOAHRH1HTR2A
SCHEMBL15352442 0.78 SIGMAR1 (0.40) CYP3A4IDO1SPHK2SPHK1MAOB
SCHEMBL2328304 0.78 MAOB (0.67) MAOAHRH1HTR2ACYP3A4MAOB

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
EP-4146268-A2 METHODS OF DETECTING AND TREATING LUNG DAMAGE IN RESPIRATORY-RELATED VIRAL INFECTIONS The Regents of the University of California (US) 2023-03-15 EP disclosed