SCHEMBL7355302

SCHEMBL7355302

CC(C1Cc2c(N)c(Cl)cc(C(=O)O)c2O1)N1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
HSD11B1 P28845 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR4 Q13639 2/20 0.32

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
Hydrochloric Acid SCHEMBL7365195 0.98 TSHR (0.34) TSHRPOLBHSD11B1MEN1ALDH1A1
SCHEMBL7365597 0.86 SLC6A4 (0.34) TSHRPOLBHSD11B1HTR4
Hydrochloric Acid SCHEMBL7363350 0.85 SLC6A4 (0.34) TSHRPOLBHSD11B1LMNAHTR4
SCHEMBL7430275 0.75 PARP1 (0.49) HSD11B1ALDH1A1
SCHEMBL7355305 0.74 HTR4 (0.39) MEN1ALDH1A1KMT2AHTR4
Hydrochloric Acid SCHEMBL7361122 0.73 HTR4 (0.39) MEN1ALDH1A1LMNAKMT2AHTR4
SCHEMBL7365599 0.72 HTR4 (0.41) MEN1ALDH1A1KMT2AHTR4
SCHEMBL7436836 0.72 MAOA (0.35) KMT2AHTR4
Hydrochloric Acid SCHEMBL7363354 0.72 HTR4 (0.40) MEN1ALDH1A1LMNAKMT2AHTR4
SCHEMBL7326376 0.69 HSD11B1 (0.36) HSD11B1HTR4

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
WO-1996033186-A1 SUBSTITUTED DIHYDROBENZOFURAN DERIVATIVES AS 5-HT4 AGONISTS PHARMACIA & UPJOHN S.P.A. (IT) 1996-10-24 WO claimed
WO-1996033186-A1 SUBSTITUTED DIHYDROBENZOFURAN DERIVATIVES AS 5-HT4 AGONISTS PHARMACIA & UPJOHN S.P.A. (IT) 1996-10-24 WO disclosed