SCHEMBL11628371

SCHEMBL11628371

CC(c1ccc(-c2ccc(Cl)c(Cl)c2)cc1)N1CCN(CC=Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.54
▸ CYP2D6 P10635 5/20 0.54
▸ MAPK1 P28482 5/20 0.54
▸ HIF1A Q16665 4/20 0.54
▸ CYP3A4 P08684 4/20 0.54
▸ NPSR1 Q6W5P4 4/20 0.54
▸ CYP1A2 P05177 4/20 0.54
▸ CYP2C9 P11712 4/20 0.54
▸ OPRM1 P35372 3/20 0.54
▸ GAA P10253 3/20 0.54
▸ SIGMAR1 Q99720 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ CHRM2 P08172 2/20 0.54
▸ CHRM4 P08173 2/20 0.54
▸ HTR1A P08908 2/20 0.54
▸ CHRM5 P08912 2/20 0.54
▸ ADRA2A P08913 2/20 0.54
▸ ADORA3 P0DMS8 2/20 0.54
▸ CHRM1 P11229 2/20 0.54
▸ DRD2 P14416 2/20 0.54

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
SCHEMBL11628373 1.00 LMNA (0.54) LMNACYP2D6MAPK1HIF1ACYP3A4
Hydrochloric Acid SCHEMBL11626176 0.89 LMNA (0.56) LMNACYP2D6MAPK1HIF1ACYP3A4
Hydrochloric Acid SCHEMBL11626178 0.89 LMNA (0.56) LMNACYP2D6MAPK1HIF1ACYP3A4
SCHEMBL11622674 0.86 LMNA (0.57) LMNACYP2D6MAPK1HIF1ACYP3A4
SCHEMBL11622677 0.86 LMNA (0.57) LMNACYP2D6MAPK1HIF1ACYP3A4
SCHEMBL11622308 0.85 LMNA (0.72) LMNACYP2D6MAPK1HIF1ACYP3A4
SCHEMBL11624504 0.85 LMNA (0.58) LMNACYP2D6MAPK1HIF1ACYP3A4
SCHEMBL11624508 0.85 LMNA (0.58) LMNACYP2D6MAPK1HIF1ACYP3A4
SCHEMBL11623915 0.85 LMNA (0.57) LMNACYP2D6MAPK1HIF1ACYP3A4
SCHEMBL11622313 0.85 LMNA (0.72) LMNACYP2D6MAPK1HIF1ACYP3A4

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-4125612-A N-1-(p-Biphenylalkyl)piperazines and their use as anti-inflammatory agents SCHERING CORPORATION (US) 1978-11-14 — — US disclosed
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