SCHEMBL30102415

SCHEMBL30102415

CCc1cc(NCCOCC2CCCCC2)c(N)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.33
HTR4 Q13639 2/20 0.33
AAK1 Q2M2I8 2/20 0.32
ALOX15 P16050 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
SPHK1 Q9NYA1 3/20 0.31
SCN9A Q15858 2/20 0.31
PTGER4 P35408 3/20 0.31
CNR2 P34972 1/20 0.31
METAP2 P50579 1/20 0.30
METAP1 P53582 1/20 0.30

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
SCHEMBL30102420 0.81 PTGER4 (0.41) AAK1ALOX15PTGER4TAS1R3TAS1R1
SCHEMBL30102414 0.77 PTGER4 (0.33) PTGER4
SCHEMBL30102413 0.77 HAT1 (0.36) PTGER4
SCHEMBL30102484 0.74 KDM4E (0.37) PTGER4
SCHEMBL30102408 0.72 KCNQ2 (0.36) PTGER4
SCHEMBL30102431 0.70 DRD2 (0.44) PTGER4
SCHEMBL7470752 0.61 CD44 (0.48) ALOX15CA12CA1CA2CA3
SCHEMBL1048674 0.60 TLR7 (0.41) AAK1
SCHEMBL10948580 0.60 GAA (0.57) ALOX15CA12CA1CA2CA3
SCHEMBL14084719 0.60 CYP1A2 (0.44) SPHK1NAAA

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-2022272313-A1 MODULATORS OF HISTONE ACETYLTRANSFERASE 1 AND METHODS OF TREATMENT THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-12-29 WO disclosed