SCHEMBL11538702

SCHEMBL11538702

Cc1ccc2[nH]cc(CCN3CCCCC3=O)c2c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
HTR1D P28221 6/20 0.52
HTR1B P28222 5/20 0.52
HTR2A P28223 3/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
CDK4 P11802 1/20 0.50
CCND1 P24385 1/20 0.50
MPO P05164 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
DRD4 P21917 1/20 0.47
MGLL Q99685 1/20 0.46
HTR1A P08908 1/20 0.46
FTO Q9C0B1 1/20 0.45

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
SCHEMBL11543826 0.91 RAB9A (0.70) RAB9ASMN1; SMN2HTR1DHTR1BHTR2A
SCHEMBL30274876 0.86 RAB9A (0.70) RAB9ASMN1; SMN2HTR1DHTR1BHTR2A
SCHEMBL11536718 0.86 RAB9A (0.70) RAB9ASMN1; SMN2HTR2ACDK4CCND1
SCHEMBL3579326 0.86 RAB9A (0.70) RAB9ASMN1; SMN2HTR1DHTR1BHTR2A
SCHEMBL11536860 0.85 HTR2A (0.68) RAB9ASMN1; SMN2HTR1DHTR1BHTR2A
SCHEMBL8506914 0.81 HTR1D (0.71) HTR1DHTR1BHTR2ACDK4CCND1
SCHEMBL11540156 0.80 RAB9A (0.62) RAB9ASMN1; SMN2HTR1DHTR1BHTR2A
SCHEMBL10679736 0.79 RAB9A (0.92) RAB9ASMN1; SMN2HTR2AMEN1MAPT
SCHEMBL11539493 0.79 RAB9A (0.70) RAB9ASMN1; SMN2HTR2AMPOMGLL
SCHEMBL11538262 0.79 SMN1; SMN2 (0.63) RAB9ASMN1; SMN2HTR1DHTR1BHTR2A

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