SCHEMBL30909156

SCHEMBL30909156

O=C(Nc1ccc2scc(C3=CCN4CCCCC4CC3)c2c1)c1ccccc1OC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
ACKR3 P25106 1/20 0.41
KCNK3 O14649 4/20 0.40
KCNK9 Q9NPC2 4/20 0.40
F2R P25116 1/20 0.39
PNLIP P16233 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ANO1 Q5XXA6 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
WNT3A P56704 3/20 0.35
BRAF P15056 1/20 0.34
DHODH Q02127 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL8721052 1.00 HRH3 (0.41) HRH3ACKR3KCNK3KCNK9F2R
SCHEMBL8706037 0.86 ALDH1A1 (0.42) ACKR3TP53MAPT
SCHEMBL8721276 0.85 AVPR1A (0.44) TP53MAPT
SCHEMBL8721780 0.85 HCRTR1 (0.39) HRH3PNLIPCNR1CNR2TP53
SCHEMBL30909135 0.85 HCRTR1 (0.39) HRH3PNLIPCNR1CNR2TP53
SCHEMBL30909146 0.85 OPRM1 (0.36) HRH3TP53MAPT
SCHEMBL8725934 0.85 OPRM1 (0.36) HRH3TP53MAPT
SCHEMBL8720711 0.84 TP53 (0.44) KCNK3KCNK9TP53MAPT
SCHEMBL8724021 0.83 HTR1F (0.40) HRH3TP53MAPTMCHR1
SCHEMBL8724051 0.82 AKR1C3 (0.38) HRH3MAPT

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