SCHEMBL7752962

SCHEMBL7752962

CCCCN(CCCC)c1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.45
CETP P11597 3/20 0.44
MAPK1 P28482 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
NR1H2 P55055 6/20 0.44
NR1H3 Q13133 6/20 0.44
LTB4R2 Q9NPC1 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL21169213 0.89 CETP (0.47) ARCETPMAPK1CYP3A4MAPT
SCHEMBL8664260 0.83 ALDH1A1 (0.45) ARCYP3A4MAPTNR1H2NR1H3
SCHEMBL18700509 0.83 LTB4R2 (0.48) ARLTB4R2HDAC3HDAC1HDAC2
SCHEMBL5500471 0.83 CYP3A4 (0.44) CETPMAPK1CYP3A4MAPTLTB4R2
SCHEMBL23072505 0.82 TAAR1 (0.46) ARCETPMAPK1CYP3A4MAPT
SCHEMBL8626864 0.82 CYP3A4 (0.55) CETPMAPK1CYP3A4MAPTALDH1A1
SCHEMBL6859772 0.81 NR1H2 (0.38) ARCYP3A4NR1H2NR1H3ALDH1A1
SCHEMBL28142156 0.81 TLR8 (0.41) CETPMAPK1LTB4R2HDAC3HDAC1
SCHEMBL7755356 0.80 NR1H2 (0.54) ARMAPK1CYP3A4MAPTNR1H2
SCHEMBL19265466 0.79 HTR7 (0.43) CETPMAPK1MAPTLTB4R2ALDH1A1

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
EP-0846676-B1 Process for the preparation of aromatic amines from aryl chlorides AXIVA GMBH (DE) 2001-02-07 EP disclosed
US-5831128-A Synthesis of aromatic amines from chloroamatics HOECHST AKTIENGESELLSCHAFT (DE) 1998-11-03 US disclosed
EP-0846676-A1 Process for the preparation of aromatic amines from aryl chlorides HOECHST AKTIENGESELLSCHAFT (DE) 1998-06-10 EP disclosed