SCHEMBL9115694

SCHEMBL9115694

C1CCCCC(C2CCNCCCNC2)CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
CXCR4 P61073 1/20 0.36
EPHX1 P07099 1/20 0.33
CYP2D6 P10635 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A1 P30531 2/20 0.31
SLC6A11 P48066 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
SLC6A13 Q9NSD5 1/20 0.31
CCR5 P51681 1/20 0.30
APLNR P35414 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL20156421 0.93 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2CXCR4EPHX1CYP2D6
SCHEMBL21324676 0.93 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2CXCR4EPHX1CYP2D6
SCHEMBL11050890 0.93 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2CXCR4EPHX1HTR2C
SCHEMBL29323538 0.93 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2EPHX1KCNH2HTR2C
SCHEMBL22545893 0.93 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2EPHX1KCNH2HTR2C
SCHEMBL24364102 0.93 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2EPHX1KCNH2HTR2C
SCHEMBL29323531 0.93 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2EPHX1KCNH2HTR2C
SCHEMBL24364098 0.93 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2EPHX1KCNH2HTR2C
SCHEMBL24364095 0.93 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2EPHX1KCNH2HTR2C
SCHEMBL2379871 0.93 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2EPHX1KCNH2HTR2C

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618881-A4 A PROCESS FOR PREPARING MOLECULAR SIEVES USING 3,7-DIAZABICYCLO[3.3.1]NONANE TEMPLATES. CHEVRON RES & TECH (US) 1995-01-04 EP claimed
EP-0618881-A1 A PROCESS FOR PREPARING MOLECULAR SIEVES USING 3,7-DIAZABICYCLO[3.3.1]NONANE TEMPLATES CHEVRON RESEARCH AND TECHNOLOGY COMPANY, (US) 1994-10-12 EP claimed
WO-1994008898-A1 A PROCESS FOR PREPARING MOLECULAR SIEVES USING 3,7-DIAZABICYCLO[3.3.1]NONANE TEMPLATES CHEVRON RESEARCH AND TECHNOLOGY COMPANY, A DIVISIO (US) 1994-04-28 WO claimed
US-5271921-A Process for preparing molecular sieves using 3,7-diazabicyclo[3.3.1] CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1993-12-21 US claimed
EP-0618881-A4 A PROCESS FOR PREPARING MOLECULAR SIEVES USING 3,7-DIAZABICYCLO[3.3.1]NONANE TEMPLATES. CHEVRON RES & TECH (US) 1995-01-04 EP disclosed
EP-0618881-A1 A PROCESS FOR PREPARING MOLECULAR SIEVES USING 3,7-DIAZABICYCLO[3.3.1]NONANE TEMPLATES CHEVRON RESEARCH AND TECHNOLOGY COMPANY, (US) 1994-10-12 EP disclosed
WO-1994008898-A1 A PROCESS FOR PREPARING MOLECULAR SIEVES USING 3,7-DIAZABICYCLO[3.3.1]NONANE TEMPLATES CHEVRON RESEARCH AND TECHNOLOGY COMPANY, A DIVISIO (US) 1994-04-28 WO disclosed
US-5271921-A Process for preparing molecular sieves using 3,7-diazabicyclo[3.3.1] CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1993-12-21 US disclosed