SCHEMBL9742256

SCHEMBL9742256

FC(F)(F)c1cccc(-c2ccccc2C[C@@H]2[C@H](NCc3ccccc3)C3CCN2CC3)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.48
MRGPRX1 Q96LB2 1/20 0.41
HTR7 P34969 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38

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
SCHEMBL9324110 1.00 TACR1 (0.48) TACR1MRGPRX1HTR7MEN1KMT2A
SCHEMBL9767694 0.86 TACR1 (0.38) TACR1MRGPRX1HTR7BCHEACHE
Water SCHEMBL9742198 0.86 TACR1 (0.60) TACR1
SCHEMBL9325044 0.83 TACR1 (0.58) TACR1HTR7
SCHEMBL9321890 0.82 TACR1 (0.56) TACR1
SCHEMBL9322762 0.81 TACR1 (0.51) TACR1
SCHEMBL9324189 0.80 TACR1 (0.53) TACR1
Hydrochloric Acid SCHEMBL9323145 0.78 TACR1 (0.56) TACR1
SCHEMBL9321776 0.78 TACR1 (0.52) TACR1
SCHEMBL9322963 0.77 TACR1 (0.53) TACR1BCHEACHEBACE1

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
US-5162339-A Substance P Antagonists, Gastrointestinal and Central Nervous System Disorders, Antiinflammatory Agents, Analgesics PFIZER INC. (US) 1992-11-10 US disclosed