SCHEMBL7583073

SCHEMBL7583073

CCN1CCNCC1c1ccc(OC(C)C)cc1.c1cc2cc-2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
TSHR P16473 1/20 0.36
MBTPS1 Q14703 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RORC P51449 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
TGFBR1 P36897 1/20 0.35
ACVR1 Q04771 1/20 0.35
SLC5A1 P13866 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL7582143 0.87 CHRM3 (0.41) HTR2AHTR2CHTR2B
SCHEMBL7584443 0.83 TDP1 (0.40) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL470870 0.75 P2RX7 (0.43) HTR2AHTR2CHTR2BTDP1
SCHEMBL410563 0.75 P2RX7 (0.43) HTR2AHTR2CHTR2BTDP1
SCHEMBL18741430 0.74 ADRB1 (0.40) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL7584116 0.74 ADRA2C (0.38) HTR2CHTR2B
SCHEMBL30853839 0.73 HTR3A (0.44) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL9226443 0.73 ADRA2C (0.37) HTR2CHTR2B
SCHEMBL22382688 0.72 RIPK1 (0.43) HTR2AHTR2CHTR2BTDP1
SCHEMBL8458372 0.71 AKT1 (0.39) HTR2AHTR2CHTR2BTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675118-B1 Biphenylderivatives, process for their preparation and their use as medicaments EISAI CO LTD (JP) 2002-10-09 EP claimed
EP-0675118-A2 Biphenylderivatives, process for their preparation and their use as medicaments Eisai Co., Ltd. (JP) 1995-10-04 EP claimed
EP-0675118-B1 Biphenylderivatives, process for their preparation and their use as medicaments EISAI CO LTD (JP) 2002-10-09 EP disclosed
US-6281214-B1 USEFUL FOR TREATING AND AMELIORATING MENTAL DISORDERS EISAI CO., LTD (JP) 2001-08-28 US disclosed
US-5849912-A Biphenyl derivatives EISAI CO., LTD. (JP) 1998-12-15 US disclosed
EP-0675118-A2 Biphenylderivatives, process for their preparation and their use as medicaments Eisai Co., Ltd. (JP) 1995-10-04 EP disclosed