SCHEMBL7921747

SCHEMBL7921747

Cc1ccc(N2CCN(Cc3ccc(C(C)C)cc(O)c3=O)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.62
TSHR P16473 5/20 0.62
ALDH1A1 P00352 3/20 0.62
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
PKM P14618 1/20 0.53
HTT P42858 1/20 0.53
TP53 P04637 1/20 0.51
MAPT P10636 2/20 0.49
HTR7 P34969 2/20 0.44
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL7921621 0.91 ALDH1A1 (0.76) LMNATSHRALDH1A1HPGDALOX15
SCHEMBL7921771 0.90 LMNA (0.61) LMNATSHRALDH1A1HPGDALOX15
SCHEMBL7594639 0.90 LMNA (0.61) LMNATSHRALDH1A1HPGDALOX15
SCHEMBL7921838 0.89 LMNA (0.60) LMNATSHRALDH1A1HPGDALOX15
SCHEMBL7921776 0.88 LMNA (0.58) LMNATSHRALDH1A1HTTTP53
SCHEMBL7927377 0.86 LMNA (0.56) LMNATSHRALDH1A1TP53MAPT
SCHEMBL7921419 0.85 LMNA (0.50) LMNATSHRALDH1A1HPGDALOX15
SCHEMBL7915283 0.85 LMNA (0.50) LMNATSHRALDH1A1HPGDALOX15
SCHEMBL7921975 0.84 ALDH1A1 (0.60) LMNATSHRALDH1A1ALOX15TP53
SCHEMBL7924133 0.84 LMNA (0.48) LMNATSHRALDH1A1ALOX15PKM

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