SCHEMBL7921763

SCHEMBL7921763

CC(C)c1ccc(CN2CCN(c3ccccc3)CC2)c(=O)c(NCCCO)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.56
ALDH1A1 P00352 6/20 0.56
TSHR P16473 4/20 0.56
TP53 P04637 1/20 0.52
MAPT P10636 4/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HTR7 P34969 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL7924018 0.94 ALDH1A1 (0.58) LMNAALDH1A1TSHRTP53MAPT
SCHEMBL7921592 0.91 LMNA (0.54) LMNAALDH1A1TSHRTP53MAPT
SCHEMBL7921561 0.89 LMNA (0.56) LMNAALDH1A1TSHRTP53MAPT
SCHEMBL7923484 0.89 LMNA (0.53) LMNAALDH1A1TSHRTP53MAPT
SCHEMBL7915574 0.87 LMNA (0.58) LMNAALDH1A1TSHRTP53MAPT
SCHEMBL7923962 0.86 LMNA (0.53) LMNAALDH1A1TSHRTP53MAPT
SCHEMBL7921472 0.86 LMNA (0.58) LMNAALDH1A1TSHRTP53MAPT
SCHEMBL7921558 0.85 LMNA (0.56) LMNAALDH1A1TSHRTP53MAPT
SCHEMBL7921570 0.84 LMNA (0.61) LMNAALDH1A1TSHRTP53MAPT
SCHEMBL7921597 0.84 LMNA (0.55) LMNAALDH1A1TSHRTP53MAPT

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-6221868-B1 Remedies/preventives for frequent urination/urinary incontinence and tropone derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-04-24 US disclosed
EP-0995741-A1 REMEDIES/PREVENTIVES FOR FREQUENT URINATION/URINARY INCONTINENCE AND TROPONE DERIVATIVES Nippon Kayaku Kabushiki Kaisha (JP) 2000-04-26 EP disclosed