SCHEMBL30801182

SCHEMBL30801182

O=C(c1ccc2cc[nH]c2c1)N1CC2CCC(C1)N2

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 11/20 0.55
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
ENPP2 Q13822 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPK14 Q16539 1/20 0.51
CPS1 P31327 1/20 0.49
CHRNA7 P36544 1/20 0.48
OXTR P30559 1/20 0.47
JAK1 P23458 1/20 0.46

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
SCHEMBL28133059 0.78 GHSR (0.56) GHSRALDH1A1KDM4EHPGDENPP2
SCHEMBL3457089 0.77 MAPK14 (0.55) GHSRMAPK14OXTR
SCHEMBL29944074 0.77 GHSR (0.71) GHSRALDH1A1KDM4EHPGDENPP2
SCHEMBL1355458 0.77 GHSR (0.71) GHSRALDH1A1KDM4EHPGDENPP2
SCHEMBL29990457 0.75 GHSR (0.67) GHSRALDH1A1KDM4EHPGDENPP2
SCHEMBL3235960 0.75 GHSR (0.67) GHSRALDH1A1KDM4EHPGDENPP2
SCHEMBL17443852 0.75 GHSR (0.75) GHSRALDH1A1KDM4EHPGDENPP2
SCHEMBL16002858 0.75 GHSR (0.58) GHSRALDH1A1KDM4EHPGDENPP2
SCHEMBL30801187 0.75 GHSR (0.58) GHSRALDH1A1
SCHEMBL31581113 0.75 CCNC (0.51) HPGD

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-117693502-A Compounds for inhibiting or degrading ITK, compositions comprising the same, methods of making the same, and methods of using the same 纽力克斯治疗公司 2024-03-12 CN disclosed