SCHEMBL8735443

SCHEMBL8735443

O=[C]CCCN1CCCCC1C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DUT P33316 5/20 0.40
CYP2D6 P10635 4/20 0.40
CHRM2 P08172 4/20 0.40
CHRM1 P11229 4/20 0.40
CHRM3 P20309 4/20 0.40
KCNH2 Q12809 3/20 0.40
CHRM4 P08173 3/20 0.40
CHRM5 P08912 3/20 0.40
HTR1A P08908 2/20 0.40
OPRM1 P35372 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
HRH1 P35367 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 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
SCHEMBL6264165 0.83 LMNA (0.44) LMNAMAPTDUTCYP2D6CHRM2
SCHEMBL20600150 0.80 LMNA (0.49) LMNADUTCYP2D6CHRM2CHRM1
SCHEMBL20599883 0.80 LMNA (0.49) LMNADUTCYP2D6CHRM2CHRM1
SCHEMBL8477474 0.79 LMNA (0.51) LMNADUTCHRM3HRH1ATM
SCHEMBL8477470 0.79 LMNA (0.51) LMNADUTCHRM3HRH1ATM
SCHEMBL8481946 0.79 LMNA (0.51) LMNADUTCHRM3HRH1ATM
SCHEMBL10123845 0.77 LMNA (0.51) LMNAMAPTCYP2D6CHRM2CHRM1
SCHEMBL9839245 0.76 LMNA (0.66) LMNAMAPTNPSR1CYP2D6CHRM2
SCHEMBL8343216 0.76 LMNA (0.53) LMNADUTCHRM2CHRM1CHRM3
SCHEMBL8342637 0.76 LMNA (0.53) LMNADUTCHRM2CHRM1CHRM3

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-5738872-A ANTIALLERGENS, ANTIHISTAMINES; BIOAVAILABILITY HOECHST MARION ROUSSEL, INC. (US) 1998-04-14 US disclosed