SCHEMBL11558795

SCHEMBL11558795

Cc1ccc2[nH]cc(CCN3CCC(N4CCNC4=O)CC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 6/20 0.47
▸ HTR1B P28222 5/20 0.47
▸ MPO P05164 2/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HTR2A P28223 3/20 0.46
▸ CDK4 P11802 1/20 0.45
▸ CCND1 P24385 1/20 0.45
▸ BRD4 O60885 1/20 0.44

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
SCHEMBL11479098 0.88 HTR6 (0.49) HTR1DHTR1BMPOHTR1AMEN1
SCHEMBL11563725 0.87 MPO (0.43) HTR1DHTR1BMPOHTR1AHTR2A
SCHEMBL11463974 0.87 HTR2A (0.65) HTR1BHTR1AHTR2A
Hydrochloric Acid SCHEMBL11462601 0.87 HTR1A (0.56) HTR1DHTR1BMPOHTR1AHTR2A
Hydrochloric Acid SCHEMBL11463692 0.87 HTR7 (0.54) HTR1DHTR1BMPOHTR1AMAPT
Hydrochloric Acid SCHEMBL11462927 0.87 HTR6 (0.49) HTR1DHTR1BMPOHTR1AMEN1
SCHEMBL11554436 0.84 NQO2 (0.45) HTR1DHTR1BMPOHTR2A
SCHEMBL11559263 0.83 ADRA2A (0.34) HTR1DHTR1BMPOHTR1AHTR2A
SCHEMBL11556983 0.81 SLC6A4 (0.51) HTR1AHTR2A
SCHEMBL11471775 0.80 TRPM8 (0.53) HTR1DHTR1BHTR1AMEN1MAPT

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-4147786-A HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1979-04-03 — — US disclosed
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