SCHEMBL11536718

SCHEMBL11536718

O=C1CCCCN1CCc1c[nH]c2ccc(F)cc12

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
MPO P05164 6/20 0.67
HTR1A P08908 5/20 0.60
MGLL Q99685 1/20 0.53
HTR2A P28223 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
CDK4 P11802 1/20 0.50
CCND1 P24385 1/20 0.50

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
SCHEMBL11539493 0.91 RAB9A (0.70) RAB9ASMN1; SMN2MPOHTR1AMGLL
SCHEMBL3579326 0.86 RAB9A (0.70) RAB9ASMN1; SMN2MPOHTR1AHTR2A
SCHEMBL11538702 0.86 RAB9A (0.70) RAB9ASMN1; SMN2MPOHTR1AMGLL
SCHEMBL30274876 0.86 RAB9A (0.70) RAB9ASMN1; SMN2MPOHTR1AHTR2A
SCHEMBL17525734 0.84 MPO (0.64) MPOHTR1AHTR2ATRPM8CDK4
SCHEMBL11536860 0.83 HTR2A (0.68) RAB9ASMN1; SMN2HTR1AHTR2ATRPM8
SCHEMBL733997 0.81 MPO (1.00) MPOHTR1AHTR2A
SCHEMBL733711 0.80 MPO (0.97) MPOHTR1AHTR2A
SCHEMBL9541243 0.79 MPO (0.76) MPOHTR1A
SCHEMBL10679736 0.79 RAB9A (0.92) RAB9ASMN1; SMN2HTR1AHTR2A

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