SCHEMBL9740277

SCHEMBL9740277

CNC(=O)C1CCCc2cc(OC)ccc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
KDM4C Q9H3R0 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MTNR1A P48039 3/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MTNR1B P49286 2/20 0.43
CHRNA7 P36544 1/20 0.43
NQO2 P16083 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL31613077 0.89 MTNR1A (0.52) MTNR1AMTNR1BNQO2
SCHEMBL14711226 0.86 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2KDM4CMEN1
SCHEMBL30940169 0.86 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2KDM4CMEN1
SCHEMBL31613068 0.85 KDM4C (0.48) KDM4CMTNR1AMTNR1B
SCHEMBL9523155 0.85 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2KDM4CMEN1
SCHEMBL1844672 0.85 SIRT1 (0.53) TAS1R3TAS1R1TAS1R2KDM4CMEN1
SCHEMBL10467833 0.83 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2KDM4CMEN1
Hydrochloric Acid SCHEMBL10467836 0.83 SIRT1 (0.52) TAS1R3TAS1R1TAS1R2KDM4CCHRNA7
SCHEMBL31613070 0.83 HSD17B10 (0.49) TAS1R3TAS1R1TAS1R2KDM4CMEN1
SCHEMBL9523174 0.81 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2KDM4CMTNR1B

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-5140040-A Alpha-2-adrenergic receptor antagonist; glaucoma; congestive heart failure; hypotensive agents; headaches; metabolic disorders (diabetes, obesity) ABBOTT LABORATORIES (US) 1992-08-18 US disclosed
US-4957914-A ANTIDEPRESSANTS, ANXIOLYTICS, HYPOTENSIVE AGENTS SYNTEX (U.S.A.) INC. (US) 1990-09-18 US disclosed