SCHEMBL13610205

SCHEMBL13610205

CCCCCCCCCCCCCCCCCCCCCCCCCCCCOCC1CCc2ccccc2N1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.48
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
NOS1 P29475 1/20 0.37
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
TAOK3 Q9H2K8 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
TAOK1 Q7L7X3 3/20 0.34
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL13610193 0.88 ALDH1A1 (0.40) MTNR1AALDH1A1TDP1NOS1HTR1A
SCHEMBL22977707 0.83 MTNR1A (0.52) MTNR1AALDH1A1BRD4CREBBPCYP1A2
SCHEMBL8553887 0.83 MTNR1A (0.52) MTNR1AALDH1A1BRD4CREBBPCYP1A2
SCHEMBL29593079 0.83 MTNR1A (0.52) MTNR1AALDH1A1BRD4CREBBPCYP1A2
SCHEMBL4128722 0.81 MTNR1A (0.53) MTNR1AALDH1A1HTR1ABRD4CREBBP
SCHEMBL4045997 0.80 MTNR1A (0.55) MTNR1AALDH1A1HTR1ABRD4CREBBP
SCHEMBL13384188 0.78 MTNR1A (0.52) MTNR1ABRD4CREBBP
SCHEMBL4138599 0.76 MTNR1A (0.57) MTNR1AHTR1ABRD4CREBBP
SCHEMBL4139663 0.76 MTNR1A (0.60) MTNR1AHTR1ABRD4CREBBP
SCHEMBL22262591 0.76 MTNR1A (0.60) MTNR1AHTR1ABRD4CREBBP

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-7615641-B2 Long chain aliphatic alcohol derivatives and methods of making and using same SINO PHARMACEUTICALS CORPORATION (CA) 2009-11-10 US disclosed
US-7615641-B2 Long chain aliphatic alcohol derivatives and methods of making and using same SINO PHARMACEUTICALS CORPORATION (CA) 2009-11-10 US disclosed