SCHEMBL22653000

SCHEMBL22653000

c1ccc2c(c1)-c1c([nH]c3ccccc13)C1NCCC21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
SIRT1 Q96EB6 2/20 0.35
BRD3 Q15059 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35

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
SCHEMBL7125715 0.71 GSK3B (0.37) ADRA1DADRA1AADRA1BALDH1A1MEN1
SCHEMBL7124734 0.70 ALDH1A1 (0.38) CYP3A4CYP2D6CYP2C19ADRA1DADRA1A
SCHEMBL7124721 0.70 ALDH1A1 (0.38) CYP3A4CYP2D6CYP2C19ADRA1DADRA1A
SCHEMBL7197996 0.69 IMPDH2 (0.37) ADRA1DADRA1AADRA1BALDH1A1MEN1
Hydrochloric Acid SCHEMBL8632931 0.62 TUBB4A (0.32) ADRA1DADRA1AADRA1BTUBB4ATUBB
Hydrochloric Acid SCHEMBL8632927 0.62 ESR1 (0.31) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL20524868 0.62 HTR7 (0.61) HTR7CYP3A4CYP2D6CYP2C19ADRA1D
SCHEMBL22478921 0.61 BRD3 (0.40) CYP3A4CYP2D6CYP2C19ADRA1DADRA1A
SCHEMBL2390305 0.60 ALDH1A1 (0.49) ALDH1A1LMNAMAPT
SCHEMBL23116631 0.60 HTR2A (0.62) HTR7CYP3A4CYP2D6CYP2C19BRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240074230-A1 MATERIALS FOR FORMING A NUCLEATION-INHIBITING COATING AND DEVICES INCORPORATING SAME OTI LUMIONICS INC. (CA) 2024-02-29 US disclosed
US-11730012-B2 Materials for forming a nucleation-inhibiting coating and devices incorporating same OTI LUMIONICS INC. (CA) 2023-08-15 US disclosed
WO-2023111919-A1 OPTO-ELECTRONIC DEVICE COMPRISING A PATTERNING COATING COMPRISING A PLURALITY OF MATERIALS OTI LUMIONICS INC. (CA) 2023-06-22 WO disclosed
US-20220221619-A1 MATERIALS FOR FORMING A NUCLEATION-INHIBITING COATING AND DEVICES INCORPORATING SAME OTI LUMIONICS INC. (CA) 2022-07-14 US disclosed
US-20220216414-A1 MATERIALS FOR FORMING A NUCLEATION-INHIBITING COATING AND DEVICES INCORPORATING SAME OTI LUMIONICS INC. (CA) 2022-07-07 US disclosed
WO-2020225778-A1 MATERIALS FOR FORMING A NUCLEATION-INHIBITING COATING AND DEVICES INCORPORATING SAME OTI LUMIONICS INC. (CA) 2020-11-12 WO disclosed