SCHEMBL25520564

SCHEMBL25520564

FC(F)n1ncc2c1CCNC2

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.34
PNMT P11086 2/20 0.33
CD44 P16070 1/20 0.33
MAOB P27338 1/20 0.33
HTR6 P50406 2/20 0.32
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL15344053 0.83 DRD4 (0.38) S1PR1PNMTCD44MAOBHTR6
Hydrochloric Acid SCHEMBL15329171 0.81 S1PR1 (0.38) S1PR1PNMTCD44MAOBHTR6
SCHEMBL16220603 0.74 PNMT (0.38) S1PR1PNMTCD44MAOBHTR6
SCHEMBL15088358 0.73 BPTF (0.39) S1PR1PNMTCD44MAOBHTR6
SCHEMBL3071498 0.72 PNMT (0.33) S1PR1PNMTCD44MAOBHTR6
Hydrochloric Acid SCHEMBL29759718 0.71 BPTF (0.39) S1PR1PNMTCD44MAOBHTR6
Hydrochloric Acid SCHEMBL3030341 0.71 BPTF (0.39) S1PR1PNMTCD44MAOBHTR6
SCHEMBL18237632 0.69 DRD4 (0.35) S1PR1PNMTCD44MAOB
SCHEMBL22509414 0.69 DRD2 (0.38) S1PR1PNMTCD44MAOBHTR6
SCHEMBL12490048 0.69 PNMT (0.35) S1PR1PNMTCD44MAOBHTR6

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-2023083286-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-19 WO disclosed