SCHEMBL27448907

SCHEMBL27448907

O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(Br)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 1.00
▸ SIGMAR1 Q99720 4/20 0.75
▸ DRD4 P21917 6/20 0.74
▸ SLC6A12 P48065 3/20 0.69
▸ SLC6A13 Q9NSD5 2/20 0.69
▸ DRD2 P14416 1/20 0.67
▸ TMEM97 Q5BJF2 3/20 0.66
▸ MCHR1 Q99705 2/20 0.65
▸ CYP1A2 P05177 1/20 0.65
▸ CYP3A4 P08684 1/20 0.65
▸ CYP2D6 P10635 1/20 0.65
▸ CYP2C9 P11712 1/20 0.65
▸ TSHR P16473 1/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ CYP2C19 P33261 1/20 0.65
▸ MEN1 O00255 2/20 0.65
▸ KCNH2 Q12809 1/20 0.63

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
SCHEMBL694949 0.87 SIGMAR1 (0.82) KMT2ASIGMAR1DRD4SLC6A12SLC6A13
SCHEMBL8706202 0.87 DRD4 (0.87) KMT2ASIGMAR1DRD4SLC6A12SLC6A13
SCHEMBL7224869 0.86 SIGMAR1 (0.77) KMT2ASIGMAR1DRD4SLC6A12SLC6A13
SCHEMBL31736417 0.86 MCHR1 (0.77) KMT2ASIGMAR1DRD4SLC6A12SLC6A13
SCHEMBL7218037 0.86 SIGMAR1 (1.00) KMT2ASIGMAR1DRD4SLC6A12SLC6A13
SCHEMBL5606683 0.85 KMT2A (0.74) KMT2ASIGMAR1DRD4SLC6A12SLC6A13
SCHEMBL9593089 0.84 DRD4 (0.79) KMT2ASIGMAR1DRD4SLC6A12DRD2
SCHEMBL14344796 0.84 KMT2A (0.72) KMT2ASIGMAR1DRD4SLC6A12SLC6A13
SCHEMBL61848 0.82 TMEM97 (0.83) KMT2ASIGMAR1DRD4SLC6A12SLC6A13
SCHEMBL17946338 0.82 KMT2A (0.80) KMT2ASIGMAR1DRD4SLC6A12SLC6A13

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
CN-1138458-A Treatment and prevention of prostatic cancer LILLY CO ELI (US) 1996-12-25 — — CN disclosed
Send feedback