SCHEMBL7915262

SCHEMBL7915262

CCCCOc1cc(C(C)C)ccc(CN2CCN(Cc3ccccc3)CC2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TSHR P16473 3/20 0.43
TACR1 P25103 2/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
ALDH1A1 P00352 7/20 0.42
LMNA P02545 3/20 0.42
TP53 P04637 2/20 0.41
KDM4E B2RXH2 4/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FAAH O00519 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL7923139 0.95 MEN1 (0.53) MEN1KMT2ATSHRTACR1DRD2
SCHEMBL7923414 0.90 MEN1 (0.54) MEN1KMT2ATSHRTACR1DRD2
SCHEMBL7921529 0.90 LMNA (0.55) MEN1KMT2ATSHRTACR1DRD3
SCHEMBL7921904 0.88 MEN1 (0.48) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL7927130 0.88 MEN1 (0.54) MEN1KMT2ATSHRTACR1DRD2
SCHEMBL7924011 0.87 KDM4E (0.46) TSHRDRD2DRD4DRD3ALDH1A1
SCHEMBL7921522 0.85 KMT2A (0.56) MEN1KMT2ATSHRTACR1ALDH1A1
SCHEMBL7923134 0.85 KDM4E (0.53) KMT2ATSHRDRD2DRD4DRD3
SCHEMBL7915565 0.84 LMNA (0.56) MEN1KMT2ATSHRTACR1DRD2
SCHEMBL7924082 0.83 MEN1 (0.48) MEN1KMT2AALDH1A1KDM4EPOLB

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