SCHEMBL9514297

SCHEMBL9514297

COc1ccc2[nH]cc(SCC(N)CCCCN3C(=O)C4C5C=CC(O5)C4C3=O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 10/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTR2A P28223 7/20 0.39
▸ HTR7 P34969 7/20 0.39
▸ HTR6 P50406 7/20 0.39
▸ SLC6A4 P31645 6/20 0.39
▸ DRD2 P14416 6/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ MTNR1B P49286 2/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ HTR1B P28222 1/20 0.36

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
SCHEMBL9514774 0.90 HTR1A (0.42) HTR1AMAPTMEN1LMNAKMT2A
SCHEMBL9513853 0.84 SMN1; SMN2 (0.49) HTR1AMAPTMEN1LMNAKMT2A
SCHEMBL9513635 0.81 MAPT (0.61) HTR1AMAPTMEN1LMNAKMT2A
SCHEMBL9517325 0.80 LMNA (0.41) HTR1AMAPTMEN1LMNAKMT2A
SCHEMBL9514753 0.78 HTR1A (0.45) HTR1AMAPTMEN1LMNAKMT2A
SCHEMBL9513807 0.76 MEN1 (0.38) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL9280115 0.74 HTR1A (0.52) HTR1AMAPTMEN1LMNAKMT2A
SCHEMBL9515163 0.74 STAT3 (0.40) HTR1AMAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL9517218 0.73 HTR1A (0.42) HTR1AMAPTMEN1LMNAKMT2A
SCHEMBL9516852 0.71 MAPT (0.40) MAPTMEN1LMNAKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5227488-A AZA SPIRO DECANE AND USE THEREOF IN TREATING CNS DISORDERS NOVO NORDISK A/S (DK) 1993-07-13 — — US disclosed
EP-0495826-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-07-29 — — EP disclosed
WO-1991004973-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-04-18 — — WO disclosed
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