SCHEMBL9517236

SCHEMBL9517236

CC1(C)CC(=O)N(CCCCC(N)CSc2c[nH]c3ccccc23)C(=O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 3/20 0.43
▸ DRD2 P14416 2/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ STAT3 P40763 2/20 0.40
▸ DRD3 P35462 1/20 0.39
▸ POLB P06746 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35

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
SCHEMBL9513686 0.88 SIGMAR1 (0.47) HTR1ASTAT3
SCHEMBL9517325 0.85 LMNA (0.41) HTR1ADRD2HTR2CHTR7HTR2B
SCHEMBL9517046 0.82 MAPT (0.54) HTR1ADRD2HTR2CHTR7HTR2B
SCHEMBL9517210 0.80 MAPT (0.42) HTR1ADRD2MAPTALDH1A1STAT3
SCHEMBL9515163 0.78 STAT3 (0.40) HTR1AMAPTALDH1A1STAT3POLB
SCHEMBL9513786 0.77 NPC1 (0.48) HTR1AALDH1A1STAT3
SCHEMBL9514704 0.76 NPC1 (0.47) HTR1AALDH1A1STAT3
SCHEMBL9514280 0.76 HTR1A (0.44) HTR1A
SCHEMBL9514753 0.76 HTR1A (0.45) HTR1ADRD2HTR2CHTR7HTR2B
SCHEMBL9516240 0.74 NPC1 (0.48) HTR1AALDH1A1STAT3

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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