SCHEMBL7411548

SCHEMBL7411548

CN(C)C1CCc2[nH]c3c(C(=O)N4CCNCC4)cccc3c2C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
GFER P55789 1/20 0.40
HTR1F P30939 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PARP1 P09874 2/20 0.37
HRH4 Q9H3N8 2/20 0.36
CHRM3 P20309 1/20 0.36
SYK P43405 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
CNR1 P21554 1/20 0.36
HTR2C P28335 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7408410 0.91 GFER (0.43) HRH3GFERHTR1FALOX15MAPK1
SCHEMBL7413088 0.89 JAK2 (0.42) HRH3GFERHTR1FALOX15MAPK1
SCHEMBL7412571 0.86 ALDH1A1 (0.46) GFERMAPK1HSD17B10KMT2A
SCHEMBL7409117 0.82 GFER (0.59) GFERHTR1FALOX15MAPK1CASP1
SCHEMBL7410680 0.82 ALOX15 (0.60) GFERHTR1FALOX15MAPK1CASP1
SCHEMBL7413250 0.82 GFER (0.45) GFERHTR1FALOX15MAPK1CASP1
Water SCHEMBL7414567 0.82 GFER (0.57) GFERHTR1FALOX15MAPK1CASP1
SCHEMBL7412289 0.81 GFER (0.45) GFERHTR1FALOX15MAPK1CASP1
SCHEMBL7408368 0.80 MAPT (0.41) GFERMAPK1KMT2A
SCHEMBL7409574 0.77 ALDH1A1 (0.45) GFERHTR1FALOX15MAPK1CASP1

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
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed