SCHEMBL10958065

SCHEMBL10958065

O=c1[nH]c(=O)n(Cc2ccccc2)c2nc(CCN3CCN(C(c4ccccc4)c4ccccc4)CC3)[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MLNR O43193 1/20 0.48
NR1I2 O75469 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CHRM2 P08172 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CYP2D6 P10635 1/20 0.48
CHRM1 P11229 1/20 0.48
CYP2C9 P11712 1/20 0.48
DRD2 P14416 1/20 0.48
PKM P14618 1/20 0.48
ADRA2C P18825 1/20 0.48
CHRM3 P20309 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48

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
SCHEMBL10959948 0.89 P2RX7 (0.48) P2RX7MEN1KMT2AMLNRNR1I2
SCHEMBL10826355 0.79 ALDH1A1 (0.48) MEN1KMT2APNPPOLBALDH1A1
SCHEMBL10957916 0.77 HTR2A (0.55) MEN1KMT2ACYP3A4CYP2D6HTR2A
Laprafylline SCHEMBL1150347 0.76 PDE5A (0.53) MEN1KMT2ACYP1A2CYP3A4HTR2A
SCHEMBL4202515 0.74 PNP (0.53) MEN1KMT2AADORA3PNPPOLB
SCHEMBL4193079 0.73 PNP (0.52) MEN1KMT2AADORA3PKMPNP
SCHEMBL10961792 0.71 HTR2A (0.58) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL10923672 0.71 PDE5A (0.53) MEN1KMT2ACYP1A2CYP3A4HTR2A
SCHEMBL10957892 0.70 KMT2A (0.48) P2RX7MEN1KMT2AMLNRNR1I2
SCHEMBL10960825 0.70 MEN1 (0.47) P2RX7MEN1KMT2AMLNRNR1I2

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-4548820-A BRONCHODILATORS, ANTIALLERGENS, HYDROLASE ENZYME INHIBITORS, ANTIG-ANTIBODY REACTION INHIBITORS ADIR (FR) 1985-10-22 US disclosed