SCHEMBL7192027

SCHEMBL7192027

Cc1ccccc1Cc1ccccc1.Cc1ccccc1Cc1ccccc1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.54
CALM1 P0DP23 1/20 0.50
TAAR1 Q96RJ0 1/20 0.46
BCL2 P10415 1/20 0.46
BCL2L1 Q07817 1/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 1/20 0.45
LTA4H P09960 1/20 0.45
ALDH1A1 P00352 1/20 0.43
P2RX7 Q99572 1/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42

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
SCHEMBL2140999 1.00 HTR2A (0.54) HTR2ACALM1TAAR1BCL2BCL2L1
SCHEMBL29940610 0.95 CALM1 (0.55) HTR2ACALM1TAAR1BCL2BCL2L1
SCHEMBL9741301 0.95 CALM1 (0.55) HTR2ACALM1TAAR1BCL2BCL2L1
SCHEMBL275838 0.95 CALM1 (0.55) HTR2ACALM1TAAR1BCL2BCL2L1
SCHEMBL27614158 0.93 CALM1 (0.52) HTR2ACALM1TAAR1BCL2BCL2L1
Hydrochloric Acid SCHEMBL21175607 0.93 CALM1 (0.52) HTR2ACALM1TAAR1BCL2BCL2L1
SCHEMBL10863097 0.93 CALM1 (0.52) HTR2ACALM1TAAR1BCL2BCL2L1
SCHEMBL2140995 0.91 CALM1 (0.57) HTR2ACALM1TAAR1BCL2BCL2L1
SCHEMBL11200954 0.90 TAAR1 (0.54) TAAR1KMT2ATSHRLTA4HALDH1A1
SCHEMBL8095627 0.87 LTA4H (0.53) HTR2ACALM1TAAR1TSHRLTA4H

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-0856859-B1 Impregnation process for electric capacitors ATOFINA (FR) 2003-10-08 EP disclosed
US-6010743-A FORMING POLYURETHANES ELF ATOCHEM S.A. (FR) 2000-01-04 US disclosed
EP-0856859-A1 Impregnation process for electric capacitors ELF ATOCHEM S.A. (FR) 1998-08-05 EP disclosed