SCHEMBL30908984

SCHEMBL30908984

C1=C(n2ccc3ccccc32)CC2CCCN2C1.O=C(O)C#CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.40
GAA P10253 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
KDM2B Q8NHM5 4/20 0.34
ACKR3 P25106 1/20 0.34
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
RAD52 P43351 1/20 0.33
ABCB1 P08183 1/20 0.33
JUN P05412 1/20 0.32
CDK2 P24941 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TFPI2 P48307 1/20 0.32
NPY4R P50391 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL30908843 0.90 HTR6 (0.44) HTR6GAAHRH3ACKR3ABCB1
SCHEMBL30908850 0.86 HTR6 (0.41) HTR6HRH3ABCB1
Hydrochloric Acid SCHEMBL30909074 0.85 HTR6 (0.40) HTR6HRH3ABCB1
SCHEMBL7568482 0.74 MAPT (0.42) KDM2BMAPTCDK2
SCHEMBL8382686 0.61 HTR6 (0.47) HTR6HRH3ABCB1
SCHEMBL30909064 0.61 OPRM1 (0.58) HTR6HRH3ABCB1
SCHEMBL6775059 0.61 OPRM1 (0.58) HTR6HRH3ABCB1
SCHEMBL1811533 0.59 HRH3 (0.69) HRH3
SCHEMBL6775058 0.59 OPRM1 (0.56) HTR6GAAHRH3KDM2BABCB1
SCHEMBL12605572 0.59 DRD2 (0.59) HTR6MTNR1AMTNR1BABCB1

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
WO-2024073845-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS VALORISATION HSJ, LIMITED PARTNERSHIP (CA) 2024-04-11 WO disclosed