SCHEMBL7927378

SCHEMBL7927378

COc1cc(C(C)C)ccc(CN2CCC(Cc3ccccc3)CC2)c1=O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
POLB P06746 1/20 0.57
THRB P10828 1/20 0.50
TACR1 P25103 2/20 0.48
CCR3 P51677 1/20 0.48
ABCB1 P08183 1/20 0.47

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
SCHEMBL7927349 0.90 MEN1 (0.50) MEN1KMT2APOLBCCR3
SCHEMBL7924050 0.90 MEN1 (0.50) MEN1KMT2APOLBCCR3
SCHEMBL7924082 0.88 MEN1 (0.48) MEN1KMT2APOLBCCR3
SCHEMBL7921904 0.87 MEN1 (0.48) MEN1KMT2APOLBCCR3
SCHEMBL7921522 0.87 KMT2A (0.56) MEN1KMT2ATACR1
SCHEMBL7924032 0.85 MEN1 (0.51) MEN1KMT2APOLBCCR3
SCHEMBL7921870 0.82 TACR1 (0.47) MEN1KMT2APOLBTACR1CCR3
SCHEMBL7923519 0.81 LMNA (0.61) MEN1KMT2ATACR1
SCHEMBL7436780 0.80 TACR1 (0.53) MEN1KMT2ATACR1
SCHEMBL7924162 0.78 KDM4E (0.62) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6221868-B1 Remedies/preventives for frequent urination/urinary incontinence and tropone derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-04-24 US disclosed