SCHEMBL7923980

SCHEMBL7923980

Cc1cc(Cl)ccc1N1CCN(Cc2ccc(C(C)C)cc(NCCO)c2=O)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 5/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
AKR1C3 P42330 1/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
GRM5 P41594 1/20 0.36
TP53 P04637 3/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
HTR6 P50406 1/20 0.35
NPY2R P49146 1/20 0.35
MC4R P32245 1/20 0.35

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
SCHEMBL7924027 0.84 LMNA (0.48) SMN1; SMN2NPSR1MAPTKDM4EMEN1
SCHEMBL7924018 0.81 ALDH1A1 (0.58) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL7915568 0.81 CACNA2D1 (0.42) SMN1; SMN2NPSR1MAPTMEN1CYP2D6
SCHEMBL7921597 0.79 LMNA (0.55) SMN1; SMN2NPSR1MAPTKDM4ETSHR
SCHEMBL7922874 0.79 MAPT (0.44) SMN1; SMN2NPSR1MAPTKDM4EMEN1
SCHEMBL7921443 0.76 ATM (0.45) MEN1CYP2D6CYP2C19KMT2ATSHR
Hydrochloric Acid SCHEMBL7921978 0.76 MEN1 (0.44) SMN1; SMN2MEN1CYP2D6CYP2C19KMT2A
SCHEMBL7921763 0.76 LMNA (0.56) NPSR1MAPTMEN1KMT2ATSHR
SCHEMBL195024 0.76 LMNA (0.48) MAPTMEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL7921655 0.75 LMNA (0.48) MAPTMEN1KMT2AALDH1A1LMNA

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