SCHEMBL11538262

SCHEMBL11538262

O=C1CCCCN1CCc1c[nH]c2cc3c(cc12)OCO3

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.63
RAB9A P51151 1/20 0.63
HTR1A P08908 6/20 0.50
HTR1D P28221 5/20 0.50
HTR1B P28222 4/20 0.50
HTR2C P28335 2/20 0.50
HTR2A P28223 2/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR1E P28566 1/20 0.50
HTR1F P30939 1/20 0.50
HTR7 P34969 1/20 0.50
HTR2B P41595 1/20 0.50
HTR3A P46098 1/20 0.50
HTR5A P47898 1/20 0.50
HTR6 P50406 1/20 0.50
HTR4 Q13639 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
HPGD P15428 1/20 0.40

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
SCHEMBL32669266 0.81 MPO (0.59) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL11540156 0.80 RAB9A (0.62) SMN1; SMN2RAB9AHTR1AHTR1DHTR1B
SCHEMBL11536718 0.79 RAB9A (0.70) SMN1; SMN2RAB9AHTR1AHTR2AMPO
SCHEMBL3579326 0.79 RAB9A (0.70) SMN1; SMN2RAB9AHTR1AHTR1DHTR1B
SCHEMBL11543826 0.79 RAB9A (0.70) SMN1; SMN2RAB9AHTR1DHTR1BHTR2A
SCHEMBL11539493 0.79 RAB9A (0.70) SMN1; SMN2RAB9AHTR1AHTR2AHPGD
SCHEMBL11538702 0.79 RAB9A (0.70) SMN1; SMN2RAB9AHTR1AHTR1DHTR1B
SCHEMBL30274876 0.79 RAB9A (0.70) SMN1; SMN2RAB9AHTR1AHTR1DHTR1B
SCHEMBL11544472 0.79 RAB9A (0.70) SMN1; SMN2RAB9AHTR1DHTR1BHTR2A
SCHEMBL11534542 0.76 RAB9A (0.66) SMN1; SMN2RAB9AHTR1AHTR2AHTR6

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-4138489-A FORMALDEHYDE, QUATERNIZATION AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (ANVAR) (FR) 1979-02-06 US disclosed