SCHEMBL14182810

SCHEMBL14182810

CC1CCCCC1C(=O)Nc1ccc2cc(-c3ccc(NCC(=O)c4ccccn4)cc3)[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ITK Q08881 6/20 0.39
▸ SLC2A1 P11166 1/20 0.37
▸ GRM4 Q14833 1/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ MET P08581 1/20 0.34
▸ KDR P35968 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
SCHEMBL14183005 0.90 GRM4 (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL14183012 0.90 GRM4 (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL14182799 0.89 GRM4 (0.40) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL14182790 0.88 SMN1; SMN2 (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL14182811 0.85 CNR1 (0.41) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL14182794 0.84 KDR (0.46) RAB9ANPC1SMN1; SMN2KDM4EGRM4
SCHEMBL14182638 0.83 GRM4 (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL14182698 0.83 GRM4 (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL14183010 0.83 ITK (0.45) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL14182806 0.83 ITK (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E

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
US-7375118-B2 Phenyl-indole compounds for modulating IgE and Inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2008-05-20 — — US disclosed
US-7375118-B2 Phenyl-indole compounds for modulating IgE and Inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2008-05-20 — — US disclosed
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