SCHEMBL9052271

SCHEMBL9052271

COc1ccc(C2(O)CCN(CCCC(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 7/20 0.78
▸ MEN1 O00255 1/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ LMNA P02545 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ ADRA1A P35348 2/20 0.64
▸ SLC6A1 P30531 1/20 0.61
▸ SLC6A12 P48065 1/20 0.61
▸ SLC6A11 P48066 1/20 0.61
▸ CCR1 P32246 1/20 0.59
▸ NR1I2 O75469 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ HTR1A P08908 1/20 0.58
▸ ADRA2A P08913 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ CHRM1 P11229 1/20 0.58
▸ ADRA2B P18089 1/20 0.58
▸ ADRA2C P18825 1/20 0.58
▸ CHRM3 P20309 1/20 0.58

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
SCHEMBL13211778 0.90 DRD2 (0.66) DRD2MEN1KMT2AADRA1ANR1I2
SCHEMBL9053094 0.89 DRD2 (0.83) DRD2MEN1KMT2AADRA1ANR1I2
SCHEMBL20652836 0.89 DRD2 (0.74) DRD2MEN1KMT2AADRA1ANR1I2
SCHEMBL20254450 0.89 DRD2 (0.83) DRD2MEN1KMT2AADRA1ANR1I2
SCHEMBL11793314 0.89 DRD2 (0.83) DRD2MEN1KMT2AADRA1ACYP1A2
SCHEMBL9051915 0.88 DRD2 (0.73) DRD2MEN1ALDH1A1LMNAKMT2A
SCHEMBL3139717 0.88 DRD2 (0.73) DRD2MEN1ALDH1A1LMNAKMT2A
SCHEMBL8986029 0.88 DRD2 (1.00) DRD2MEN1KMT2AADRA1ANR1I2
SCHEMBL9050723 0.87 DRD2 (0.83) DRD2MEN1KMT2AADRA1ANR1I2
SCHEMBL9052699 0.85 DRD2 (0.80) DRD2MEN1KMT2AADRA1ANR1I2

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
WO-1996002250-A1 HALOPERIDOL ANALOGS AND THE USE THEREOF ACEA PHARMACEUTICALS INC. (US) 1996-02-01 — — WO disclosed
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