SCHEMBL9871544

SCHEMBL9871544

COc1ccc(Cl)cc1C(=O)N(N)C1CCN(C(=O)O)CC1OC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 4/20 0.41
DRD2 P14416 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.38
MGLL Q99685 1/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL10436139 0.78 TSHR (0.48) TSHRALDH1A1KDM4EDRD2MEN1
SCHEMBL5077812 0.69 TSHR (0.50) TSHRALDH1A1KDM4EMAPTDRD2
SCHEMBL28920791 0.68 LRRK2 (0.41) TSHRALDH1A1CYP1A2CYP2C19POLB
SCHEMBL4631186 0.67 CHRM1 (0.39)
SCHEMBL31743110 0.66 TSHR (0.59) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL13770253 0.66 ALDH1A1 (0.55) TSHRALDH1A1KDM4EDRD2MEN1
SCHEMBL7294568 0.65 KMT2A (0.42) ALDH1A1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL7294575 0.65 KMT2A (0.42) ALDH1A1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL7294562 0.65 KMT2A (0.42) ALDH1A1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL3815610 0.65 CPT2 (0.65) ALDH1A1KDM4EDRD2KMT2APOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5057525-A Stimulators of gastrointestinal motility JANSSEN PHARMACEUTICA N.V. (BE) 1991-10-15 US disclosed
US-4962115-A Stimulate motility of gastrointestinal system JANSSEN PHARMACEUTICA N.V. (BE) 1990-10-09 US disclosed
EP-0076530-B1 NOVEL N-(3-HYDROXY-4-PIPERIDINYL)BENZAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1985-12-11 EP disclosed
EP-0076530-A2 Novel N-(3-hydroxy-4-piperidinyl)benzamide derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1983-04-13 EP disclosed