SCHEMBL10915707

SCHEMBL10915707

O=C(c1ccccc1)c1[nH]c(=O)[nH]c1CN1CCC(c2ccc(Cl)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CHRM4 P08173 1/20 0.46
▸ NR3C1 P04150 2/20 0.46
▸ CCR1 P32246 7/20 0.44
▸ PARP1 P09874 1/20 0.43
▸ CCR5 P51681 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ PRCP P42785 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ HTR6 P50406 1/20 0.42

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
Hydrochloric Acid SCHEMBL10915699 0.91 SIGMAR1 (0.49) MEN1KMT2ACCR5SIGMAR1HTR1A
SCHEMBL10968588 0.84 MEN1 (0.46) MEN1KMT2ACHRM4NR3C1PARP1
Hydrochloric Acid SCHEMBL10917762 0.84 PDE3B (0.51) MEN1KMT2APARP1CCR5SIGMAR1
SCHEMBL10918581 0.83 HTR1A (0.53) KMT2AHTR1AHTR2AHTR7
SCHEMBL10914047 0.82 HSD11B1 (0.50) CHRM4NR3C1SIGMAR1
SCHEMBL10967335 0.82 KDM4E (0.48) MEN1KMT2ANR3C1PARP1SIGMAR1
Hydrochloric Acid SCHEMBL10916739 0.82 HSD11B1 (0.49) CHRM4NR3C1SIGMAR1
Hydrochloric Acid SCHEMBL10916193 0.81 DRD2 (0.47) KMT2ASIGMAR1
Hydrochloric Acid SCHEMBL10914569 0.79 ALDH1A1 (0.48) MEN1KMT2ASIGMAR1HTR1AHTR7
Hydrochloric Acid SCHEMBL10965609 0.79 ALDH1A1 (0.46) MEN1KMT2ACHRM4NR3C1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0064707-B1 4-(4-PHENYL-1-PIPERIDINYL)METHYL-5-ACYL-1,3-DIHYDRO-2H-IMIDAZOL-2-ONES MERRELL DOW PHARMACEUTICALS INC. (US) 1986-07-23 — — EP disclosed
US-4329471-A CARDIOTONICS, HYPOTENSIVE AGENTS, AND ANTITHROMBOTIC AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1982-05-11 — — US disclosed
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