SCHEMBL11344192

SCHEMBL11344192

CCC1CNCCC1CCCc1ccnc2ccc(OC)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.48
MTNR1B P49286 3/20 0.48
KCNH2 Q12809 8/20 0.46
NCF1 P14598 1/20 0.43
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
ROCK2 O75116 1/20 0.41
CYP2D6 P10635 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41

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
SCHEMBL11335708 1.00 MTNR1A (0.48) MTNR1AMTNR1BKCNH2NCF1HTR1A
SCHEMBL6966393 1.00 MTNR1A (0.48) MTNR1AMTNR1BKCNH2NCF1HTR1A
SCHEMBL6966118 0.94 KCNH2 (0.49) MTNR1AMTNR1BKCNH2NCF1ROCK2
SCHEMBL7460734 0.91 MTNR1A (0.47) MTNR1AMTNR1BKCNH2NCF1HTR1A
SCHEMBL8128824 0.90 MTNR1A (0.46) MTNR1AMTNR1BKCNH2NCF1HTR1A
SCHEMBL6964736 0.90 MTNR1A (0.46) MTNR1AMTNR1BKCNH2NCF1HTR1A
SCHEMBL5242818 0.88 MTNR1A (0.48) MTNR1AMTNR1BKCNH2NCF1ROCK2
SCHEMBL5206940 0.88 MTNR1A (0.48) MTNR1AMTNR1BKCNH2NCF1ROCK2
SCHEMBL8128907 0.88 ROCK2 (0.45) MTNR1AMTNR1BKCNH2NCF1HTR1A
SCHEMBL8128908 0.88 ROCK2 (0.45) MTNR1AMTNR1BKCNH2NCF1HTR1A

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-4299835-A ANXIOLYTICS PHARMINDUSTRIE (FR) 1981-11-10 US claimed
US-4237139-A TRANQUILIZERS, ANTIDEPRESSANTS PHARMINDUSTRIE (FR) 1980-12-02 US claimed