SCHEMBL9322894

SCHEMBL9322894

COC(=O)c1ccc(N(C)[C@@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.51
MRGPRX1 Q96LB2 6/20 0.51
ROCK2 O75116 1/20 0.46
OPRD1 P41143 1/20 0.42
CACNA1F O60840 1/20 0.42
CHRM5 P08912 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
GPR65 Q8IYL9 1/20 0.42
CCR5 P51681 1/20 0.42
KCNK9 Q9NPC2 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41
PMP22 Q01453 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9322481 0.89 MRGPRX1 (0.51) TACR1MRGPRX1CACNA1FCHRM5CACNA1D
SCHEMBL9325071 0.83 TACR1 (0.58) TACR1CACNA1FCHRM5CACNA1DCACNA1S
SCHEMBL9323405 0.82 TACR1 (0.54) TACR1
SCHEMBL9767395 0.81 TACR1 (0.53) TACR1MRGPRX1
SCHEMBL9323184 0.81 TACR1 (0.53) TACR1
SCHEMBL9322825 0.81 TACR1 (0.55) TACR1CACNA1FCHRM5CACNA1DCACNA1S
SCHEMBL9322973 0.79 TACR1 (0.60) TACR1MRGPRX1CACNA1FCHRM5CACNA1D
SCHEMBL9325144 0.78 TACR1 (0.52) TACR1
SCHEMBL9322681 0.78 TACR1 (0.61) TACR1MRGPRX1CACNA1FCHRM5CACNA1D
SCHEMBL9324225 0.78 TACR1 (0.55) TACR1MRGPRX1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409931-B1 QUINUCLIDINE THERAPEUTIC AGENTS PFIZER (US) 1994-02-16 EP disclosed
US-5162339-A Substance P Antagonists, Gastrointestinal and Central Nervous System Disorders, Antiinflammatory Agents, Analgesics PFIZER INC. (US) 1992-11-10 US disclosed
EP-0409931-A1 QUINUCLIDINE THERAPEUTIC AGENTS. PFIZER (US) 1991-01-30 EP disclosed
WO-1990005525-A1 QUINUCLIDINE DERIVATIVES AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1990-05-31 WO disclosed
WO-1990005729-A1 QUINUCLIDINE THERAPEUTIC AGENTS PFIZER INC. (US) 1990-05-31 WO disclosed