SCHEMBL14573202

SCHEMBL14573202

C=CCN1CCN(c2ccc(C(C)(O)c3ccccc3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CHRM4 P08173 1/20 0.45
CHRM3 P20309 1/20 0.45
TSHR P16473 2/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.43
CHRNA7 P36544 1/20 0.43
KCNA3 P22001 1/20 0.42
HTR7 P34969 1/20 0.42
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41
SIGMAR1 Q99720 3/20 0.41
TMEM97 Q5BJF2 2/20 0.41
DRD2 P14416 1/20 0.41
NPC1 O15118 2/20 0.40
DRD4 P21917 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
SCHEMBL175992 0.81 CHRNA7 (0.58) KDM4EALDH1A1TSHRUSP2ALOX15
SCHEMBL7423220 0.78 OPRD1 (0.60) MAPTCHRNA7HTR7SIGMAR1DRD2
SCHEMBL16312949 0.76 NPC1 (0.49) KDM4EALDH1A1TSHRUSP2ALOX15
SCHEMBL2899040 0.75 LMNA (0.56) KDM4EALDH1A1TSHRUSP2ALOX15
SCHEMBL19035644 0.75 CHRNA7 (0.51) KDM4EALDH1A1MAPTCHRNA7SIGMAR1
SCHEMBL17194427 0.75 MAPT (0.51) KDM4ESMN1; SMN2MAPTCHRNA7HTR7
SCHEMBL14573200 0.74 CHRM4 (0.47) CHRM4CHRM3TSHRMAPTCHRNA7
SCHEMBL14573192 0.73 KDM4E (0.47) KDM4EALDH1A1NPC1RAB9A
SCHEMBL458240 0.73 OPRD1 (0.59) KDM4EUSP2SIGMAR1TMEM97NPC1
SCHEMBL6550226 0.71 MAPT (0.61) KDM4EALDH1A1USP2ALOX15SMN1; SMN2

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-7183367-B2 Vinyl sulphone modified polymer N.V. ORGANON (NL) 2007-02-27 US disclosed
US-7183367-B2 Vinyl sulphone modified polymer N.V. ORGANON (NL) 2007-02-27 US disclosed