SCHEMBL9658283

SCHEMBL9658283

NCCCCn1cc(Cc2ccccc2)nn1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.60
HRH3 Q9Y5N1 3/20 0.60
KCNMA1 Q12791 2/20 0.52
CD74 P04233 1/20 0.44
MIF P14174 1/20 0.44
CYP19A1 P11511 5/20 0.43
GBA1 P04062 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
TLR8 Q9NR97 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL7309405 0.79 HSP90AB1 (0.68) HRH4HRH3KCNMA1
SCHEMBL12022159 0.77 KCNMA1 (0.69) HRH4KCNMA1CD74MIFCYP19A1
SCHEMBL4327556 0.76 KCNMA1 (0.63) HRH4HRH3KCNMA1CD74MIF
SCHEMBL23071440 0.75 HRH4 (0.51) HRH4HRH3KCNMA1CD74MIF
SCHEMBL5287307 0.74 HDAC8 (0.61) CYP19A1
SCHEMBL27777026 0.73 GBA1 (0.57) HRH4HRH3CYP19A1GBA1NPC1
SCHEMBL18465489 0.72 GBA1 (0.53) HRH4HRH3CYP19A1GBA1
SCHEMBL12990471 0.72 KCNMA1 (0.55) HRH4HRH3KCNMA1CD74MIF
SCHEMBL26254271 0.72 KCNMA1 (0.55) HRH4HRH3KCNMA1CD74MIF
SCHEMBL16023626 0.72 ALDH1A1 (0.48) HRH4HRH3CYP19A1GBA1

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-5081131-A Omega-((hetero)alkyl)benz(cd)-indol-2-amines AMERICAN CYANAMID COMPANY (US) 1992-01-14 US disclosed