SCHEMBL10737553

SCHEMBL10737553

Cc1ccc(CCc2c[nH]cn2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.35
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
PYCR1 P32322 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
P2RX7 Q99572 1/20 0.32
GAA P10253 1/20 0.31
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

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
SCHEMBL10737423 0.91 TNF (0.34) TNFMAPTPYCR1TAAR1KMT2A
SCHEMBL10742584 0.87 TAAR1 (0.47) MAPTLMNATP53TAAR1KMT2A
SCHEMBL11045882 0.85 TNF (0.36) TNFMAPTLMNATP53THRB
SCHEMBL10741610 0.80 TAAR1 (0.44) MAPTTAAR1KMT2AMEN1ALDH1A1
SCHEMBL10745477 0.78 HRH3 (0.40) MAPTKMT2AMEN1HTR1D
SCHEMBL6547406 0.76 TAAR1 (0.48) TNFMAPTLMNATP53PYCR1
SCHEMBL10736157 0.76 CYP1A2 (0.41) TAAR1KMT2AL3MBTL1
SCHEMBL10405987 0.75 GAA (0.42) TNFMAPTLMNATP53TAAR1
SCHEMBL10743458 0.74 SLC6A2 (0.34) MAPTLMNATAAR1KMT2AMEN1
SCHEMBL31248590 0.74 SLC6A2 (0.34) MAPTLMNATAAR1KMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4684659-A Antimypertensive substituted imidazoles FARMOS-YHTYMA OY (FI) 1987-08-04 US disclosed
US-4568686-A Substituted imidazoles and their use FARMOS YHTYMA OY (FI) 1986-02-04 US disclosed
EP-0034473-B1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Farmos-Yhtyma Oy (FI) 1983-09-21 EP disclosed