SCHEMBL18602007

SCHEMBL18602007

COC1=CCC(N2CN(Cc3cccc(C(=O)O)c3)C(=O)C23CCN(CCCn2c(=O)[nH]c4ccccc42)CC3)C=C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.41
HTR7 P34969 5/20 0.39
HTR1A P08908 1/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 3/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 2/20 0.38
CYP3A4 P08684 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.37
LMNA P02545 2/20 0.37
MLNR O43193 1/20 0.36
NR1I2 O75469 1/20 0.36
CHRM2 P08172 1/20 0.36

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
SCHEMBL18601842 0.91 CYP1A2 (0.43) P2RX7HTR7CYP1A2CYP2D6TSHR
SCHEMBL18601899 0.88 HTR1A (0.41) HTR7HTR1ACYP1A2CYP2D6TSHR
SCHEMBL18601799 0.87 P2RX7 (0.44) P2RX7HTR7CYP1A2CYP2D6TSHR
SCHEMBL318646 0.82 KCNH2 (0.51) P2RX7HTR7HTR1ACYP1A2CYP2D6
SCHEMBL319363 0.81 MEN1 (0.49) P2RX7HTR7HTR1ACYP1A2CYP2D6
SCHEMBL319154 0.80 MEN1 (0.56) P2RX7HTR7CYP1A2CYP2D6TSHR
SCHEMBL318351 0.78 MEN1 (0.61) CYP1A2CYP2D6TSHRMEN1CYP3A4
SCHEMBL318896 0.77 MEN1 (0.53) P2RX7HTR7CYP1A2CYP2D6TSHR
SCHEMBL10248087 0.76 MEN1 (0.55) P2RX7HTR7CYP1A2CYP2D6TSHR
SCHEMBL319344 0.76 LMNA (0.42) P2RX7HTR7HTR1ACYP1A2CYP2D6

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
EP-3138841-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2017-03-08 EP disclosed