SCHEMBL14356019

SCHEMBL14356019

Cn1cnnc1Cc1ccccc1N1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.47
▸ SLC6A2 P23975 5/20 0.47
▸ SLC6A4 P31645 5/20 0.47
▸ SLC6A3 Q01959 2/20 0.47
▸ ADRB1 P08588 3/20 0.45
▸ DRD2 P14416 2/20 0.45
▸ DRD3 P35462 2/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ BRD9 Q9H8M2 1/20 0.43
▸ HTR6 P50406 2/20 0.42
▸ HTR3E A5X5Y0 1/20 0.42
▸ HTR3B O95264 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HTR3A P46098 1/20 0.42
▸ HTR3D Q70Z44 1/20 0.42
▸ HTR3C Q8WXA8 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ HTR7 P34969 1/20 0.41

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
SCHEMBL14356008 0.78 HTR1A (0.50) HTR1ASLC6A2SLC6A4SLC6A3ADRB1
SCHEMBL335802 0.74 HTR1A (0.73) HTR1ASLC6A2SLC6A4SLC6A3ADRB1
SCHEMBL31561598 0.74 HTR1A (0.73) HTR1ASLC6A2SLC6A4SLC6A3ADRB1
SCHEMBL28078181 0.74 HTR1A (0.73) HTR1ASLC6A2SLC6A4SLC6A3ADRB1
SCHEMBL6164646 0.73 HTR1A (0.60) HTR1ASLC6A2SLC6A4SLC6A3ADRB1
Hydrochloric Acid SCHEMBL7927336 0.73 HTR1A (0.71) HTR1ASLC6A2SLC6A4SLC6A3ADRB1
Hydrochloric Acid SCHEMBL7982587 0.73 HTR1A (0.71) HTR1ASLC6A2SLC6A4SLC6A3ADRB1
Piperazine SCHEMBL28217787 0.73 HTR1A (0.71) HTR1ASLC6A2SLC6A4SLC6A3ADRB1
SCHEMBL16814964 0.72 HTR1A (0.55) HTR1ASLC6A2SLC6A4SLC6A3ADRB1
Hydrochloric Acid SCHEMBL9654609 0.72 HTR1A (0.59) HTR1ASLC6A2SLC6A4SLC6A3ADRB1

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-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 — — US disclosed
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 — — US disclosed
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