SCHEMBL27348685

SCHEMBL27348685

c1ccc2c(c1)OCCNCCN1CCOCCN(CCNCCO2)CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 3/20 0.48
CRHBP P24387 2/20 0.48
CRHR2 Q13324 2/20 0.48
HTT P42858 1/20 0.48
ADRB1 P08588 3/20 0.47
ITGB2 P05107 1/20 0.43
ICAM1 P05362 1/20 0.43
ITGAL P20701 1/20 0.43
HTR2A P28223 2/20 0.42
HTR2C P28335 1/20 0.42
HTR3E A5X5Y0 2/20 0.40
HTR3B O95264 2/20 0.40
HTR3A P46098 2/20 0.40
HTR3D Q70Z44 2/20 0.40
HTR3C Q8WXA8 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL27349435 0.95 SMN1; SMN2 (0.47) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL27349273 0.93 SMN1; SMN2 (0.48) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL27349282 0.90 SMN1; SMN2 (0.46) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL27351095 0.85 ADRB1 (0.52) LMNAADRB1HTR2AHTR3EHTR3B
SCHEMBL27349283 0.84 ADRB1 (0.49) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL11396694 0.81 SMN1; SMN2 (0.74) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL29762659 0.81 LMNA (0.67) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL1637761 0.81 LMNA (0.67) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL21907958 0.81 SMN1; SMN2 (0.67) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL30537852 0.81 LMNA (0.67) SMN1; SMN2LMNACRHBPCRHR2HTT

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
EP-4389754-A1 METAL-ORGANIC COORDINATION COMPOUND AND METHOD FOR PRODUCING THE SAME beeOLED GmbH (DE) 2024-06-26 EP disclosed