SCHEMBL7153293

SCHEMBL7153293

CCCN(c1ccccc1)c1ccc(N(CCC)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
DHFR P00374 2/20 0.45
KCNH2 Q12809 2/20 0.44
TP53 P04637 1/20 0.44
NR3C2 P08235 1/20 0.43
RXRA P19793 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ESR1 P03372 1/20 0.41
TSHR P16473 2/20 0.40
GLA P06280 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
SCHEMBL158097 0.97 MTNR1A (0.48) MTNR1AMTNR1BDHFRKCNH2TP53
Hydrochloric Acid SCHEMBL10684893 0.95 MTNR1A (0.47) MTNR1AMTNR1BDHFRKCNH2TP53
Ammonia Solution, Strong SCHEMBL4595141 0.95 MTNR1A (0.47) MTNR1AMTNR1BDHFRKCNH2TP53
SCHEMBL7151745 0.93 MTNR1A (0.43) MTNR1AMTNR1BDHFRKCNH2TP53
SCHEMBL6882138 0.89 ESR1 (0.54) MTNR1AMTNR1BDHFRTP53RXRA
SCHEMBL7062571 0.89 CYP3A4 (0.59) MTNR1AMTNR1BDHFRKCNH2TP53
SCHEMBL11681983 0.89 MTNR1A (0.44) MTNR1AMTNR1BDHFRKCNH2TP53
SCHEMBL22422827 0.89 RXRA (0.44) MTNR1AMTNR1BDHFRRXRAALDH1A1
SCHEMBL28207283 0.86 TSHR (0.46) MTNR1AMTNR1BDHFRKCNH2TP53
SCHEMBL7153294 0.86 DHFR (0.43) MTNR1AMTNR1BDHFRKCNH2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6532098-B1 Sandwiched between two electrically conductive substrates at least one of which is transparent; benzidine or phenylenediamine compounds, acryloyl-modified polyalkylene oxide; viologen compound NIPPON MITSUBISHI OIL CORPORATION (JP) 2003-03-11 US claimed
US-6532098-B1 Sandwiched between two electrically conductive substrates at least one of which is transparent; benzidine or phenylenediamine compounds, acryloyl-modified polyalkylene oxide; viologen compound NIPPON MITSUBISHI OIL CORPORATION (JP) 2003-03-11 US disclosed
US-6203154-B1 MULTILAYER NIPPON MITSUBISHI OIL CORPORATION (JP) 2001-03-20 US disclosed
EP-1041425-A1 ELECTROCHROMIC ELEMENT Nippon Mitsubishi Oil Corporation (JP) 2000-10-04 EP disclosed
US-5116708-A HOLE TRANSPORTING MATERIAL NIPPON OIL COMPANY, LIMITED (JP) 1992-05-26 US disclosed
US-5006633-A Novel compolymers and electroactive polymers derived therefrom NIPPON OIL COMPANY, LIMITED (JP) 1991-04-09 US disclosed
EP-0372979-A2 Hole transporting material NIPPON OIL COMPANY, LIMITED (JP) 1990-06-13 EP disclosed