SCHEMBL28325666

SCHEMBL28325666

COc1ccc(N2CCC(C)(C)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.59
HTR3B O95264 1/20 0.59
ADRB1 P08588 1/20 0.59
HTR3A P46098 1/20 0.59
HTR3D Q70Z44 1/20 0.59
HTR3C Q8WXA8 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
RAB9A P51151 2/20 0.53
KMT2A Q03164 2/20 0.53
DRD2 P14416 1/20 0.53
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 4/20 0.48
CYP3A4 P08684 2/20 0.48

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
Ammonia Solution, Strong SCHEMBL18011917 0.98 HTR3E (0.58) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL2925759 0.79 HTR3E (0.68) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL28129519 0.79 HTR3E (0.68) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL737198 0.79 POLB (0.58) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL4347686 0.79 ALDH1A1 (0.51) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL20748280 0.78 HTR3E (0.66) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL107369 0.78 HTR3E (0.66) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL20415006 0.78 HTR3E (0.66) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL20415005 0.78 HTR3E (0.66) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL14996536 0.78 HTR3E (0.51) HTR3EHTR3BADRB1HTR3AHTR3D

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
EP-3022180-B1 UV ABSORBING COMPOUNDS, COMPOSITIONS COMPRISING SAME AND USES THEREOF CORAL SUNSCREEN PTY LTD (AU) 2022-02-23 EP disclosed
CN-105793239-B Ultraviolet absorption compound, its composition and application thereof 珊瑚防晒私人有限公司 2019-11-05 CN disclosed