SCHEMBL7804147

SCHEMBL7804147

c1cc2cnn(CCCN3CCN(C4CCCCC4)CC3)c2cc1-n1cnnc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.44
TMEM97 Q5BJF2 1/20 0.44
ABCB1 P08183 1/20 0.42
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
HTR7 P34969 1/20 0.39

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
Hydrochloric Acid SCHEMBL8035169 0.99 SIGMAR1 (0.43) SIGMAR1TMEM97ABCB1GRIN1GRIN2B
SCHEMBL7798311 0.84 HTR1D (0.48)
Hydrochloric Acid SCHEMBL8021858 0.83 HTR1D (0.47)
SCHEMBL7807115 0.82 ABCB1 (0.61) SIGMAR1TMEM97ABCB1HTR7
Hydrochloric Acid SCHEMBL8032751 0.82 ABCB1 (0.60) SIGMAR1TMEM97ABCB1HTR7
SCHEMBL7804936 0.81 HTR1D (0.50)
Hydrochloric Acid SCHEMBL8033639 0.80 HTR1D (0.49)
SCHEMBL7804951 0.79 HTR1D (0.53) SIGMAR1
Hydrochloric Acid SCHEMBL8031090 0.78 HTR1D (0.52) SIGMAR1
SCHEMBL7804083 0.74 SLC6A2 (0.49) SIGMAR1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0902027-B1 Indole and indazole derivatives, process for their preparation and the pharmaceutical compositions containing them ADIR (FR) 2001-07-25 EP disclosed
EP-0902027-A1 Indole and indazole derivatives, process for their preparation and the pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-03-17 EP disclosed