SCHEMBL11735457

SCHEMBL11735457

O=C(C(=O)N1CCC(Oc2ccc(F)cc2)CC1)c1c[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.47
▸ GABRG2 P18507 1/20 0.47
▸ GABRB3 P28472 1/20 0.47
▸ GABRA3 P34903 1/20 0.47
▸ GABRA2 P47869 1/20 0.47
▸ GABRB2 P47870 1/20 0.47
▸ HAT1 O14929 1/20 0.47
▸ EP300 Q09472 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MDH2 P40926 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ HSP90AB1 P08238 1/20 0.44
▸ LTA4H P09960 1/20 0.44
▸ PLA2G2A P14555 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ FAAH O00519 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43

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
SCHEMBL11735804 0.84 NPC1 (0.51) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL11739805 0.84 POLB (0.60) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL11776900 0.79 DRD2 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL11738779 0.78 POLB (0.65) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL11738116 0.78 HTR6 (0.56) LTA4HPLA2G2APOLB
SCHEMBL11602121 0.76 ALDH1A1 (0.61) ALDH1A1HPGDMDH2SMN1; SMN2MEN1
SCHEMBL7945905 0.75 ALDH1A1 (0.58) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7947691 0.75 ALDH1A1 (0.62) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL11194622 0.74 ALDH1A1 (0.59) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6764594 0.74 MAOB (0.61) ALDH1A1HPGDMDH2SMN1; SMN2MEN1

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-4031221-A ANALGESICS, TRANQUILIZERS, INDOLE COMPOUNDS AMERICAN HOECHST CORPORATION (US) 1977-06-21 — — US disclosed
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