SCHEMBL8674091

SCHEMBL8674091

CCCCC1=Cc2ccc(-c3cccc4cccnc34)cc2C1[Zr](Cl)(Cl)(C1C(CCCC)=Cc2ccc(-c3cccc4cccnc34)cc21)[SiH](C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.34
BRD4 O60885 1/20 0.32
GRM2 Q14416 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
TSHR P16473 1/20 0.30
AVPR2 P30518 1/20 0.30
AVPR1A P37288 1/20 0.30
PPARG P37231 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
SCHEMBL8673516 0.90 METAP2 (0.38) METAP2BRD4GRM2HTR2AHTR2C
Hydrochloric Acid SCHEMBL8674093 0.85 METAP2 (0.34) METAP2BRD4GRM2TRPV1HTR2A
SCHEMBL8677925 0.84 BRD4 (0.35) METAP2BRD4GRM2TSHRAVPR2
SCHEMBL8675208 0.82 TSHR (0.32) TRPV1HTR2AHTR2CHTR2BTSHR
SCHEMBL8674269 0.82 BRD4 (0.34) METAP2BRD4GRM2TSHRAVPR2
SCHEMBL8673507 0.81 BRD4 (0.36) METAP2BRD4GRM2AVPR2AVPR1A
SCHEMBL8677348 0.78 P2RX7 (0.32)
SCHEMBL8673551 0.76 METAP2 (0.37) METAP2BRD4GRM2HTR2AHTR2C
Hydrochloric Acid SCHEMBL8673519 0.75 METAP2 (0.38) METAP2BRD4GRM2HTR2AHTR2C
SCHEMBL138026 0.74 CNR2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5840947-A Organometallic compound TARGOR GMBH (DE) 1998-11-24 US claimed
US-5840947-A Organometallic compound TARGOR GMBH (DE) 1998-11-24 US disclosed