SCHEMBL11453030

SCHEMBL11453030

Cc1ccc(C2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
LMNA P02545 1/20 0.67
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
ACHE P22303 4/20 0.61
BACE1 P56817 3/20 0.61
DRD2 P14416 3/20 0.58
HRH1 P35367 1/20 0.56
CCR5 P51681 2/20 0.55
DRD4 P21917 2/20 0.55
DRD3 P35462 1/20 0.55
BCHE P06276 1/20 0.55
CCR3 P51677 1/20 0.54
ALDH1A1 P00352 1/20 0.53
SIGMAR1 Q99720 1/20 0.53

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
SCHEMBL17432875 0.92 MEN1 (0.61) POLBLMNAMEN1KMT2AACHE
SCHEMBL1002852 0.88 MEN1 (0.81) MEN1KMT2AACHEDRD2CCR5
SCHEMBL11499121 0.86 MEN1 (0.68) POLBLMNAMEN1KMT2AACHE
SCHEMBL7966838 0.86 DRD2 (0.58) POLBLMNAMEN1KMT2AACHE
SCHEMBL7571134 0.85 MEN1 (0.88) MEN1KMT2AACHEBACE1DRD2
SCHEMBL9070278 0.85 MEN1 (0.67) MEN1KMT2AACHEDRD2CCR5
Hydrochloric Acid SCHEMBL11501364 0.84 MEN1 (0.66) LMNAMEN1KMT2AACHEDRD2
SCHEMBL29869413 0.84 MEN1 (0.54) POLBLMNAMEN1KMT2AACHE
SCHEMBL8659907 0.84 MEN1 (0.65) MEN1KMT2AACHEDRD2CCR5
SCHEMBL2588250 0.84 MEN1 (0.65) MEN1KMT2AACHEBACE1DRD2

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
US-4188396-A ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1980-02-12 US disclosed
EP-0007067-A1 Phenylpiperidine derivatives, processes for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1980-01-23 EP disclosed