SCHEMBL18601779

SCHEMBL18601779

O=C1N(Cc2ccccc2)CN(c2ccccc2)C12CCN(CCCn1c(=O)[nH]c3ccccc31)CC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.59
LMNA P02545 2/20 0.53
MEN1 O00255 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
KMT2A Q03164 2/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
P2RX7 Q99572 2/20 0.51
OPRM1 P35372 2/20 0.51
OPRK1 P41145 2/20 0.51
MLNR O43193 1/20 0.51
NR1I2 O75469 1/20 0.51
CHRM2 P08172 1/20 0.51

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
SCHEMBL318166 0.93 MEN1 (0.54) HTR7MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL10248398 0.92 MEN1 (0.53) HTR7MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL319154 0.90 MEN1 (0.56) HTR7LMNAMEN1CYP1A2CYP3A4
SCHEMBL318923 0.90 MEN1 (0.51) HTR7MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL10248087 0.89 MEN1 (0.55) HTR7MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL319069 0.88 HTR7 (0.52) HTR7LMNAMEN1CYP1A2CYP3A4
SCHEMBL18601919 0.88 HTR7 (0.46) HTR7LMNAMEN1CYP1A2CYP3A4
SCHEMBL319841 0.88 HTR7 (0.46) HTR7LMNAMEN1CYP1A2CYP3A4
SCHEMBL11507592 0.87 HTR7 (0.62) HTR7LMNAMEN1CYP1A2CYP3A4
SCHEMBL16244973 0.87 HTR7 (0.55) HTR7LMNAMEN1CYP1A2CYP3A4

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