SCHEMBL7960867

SCHEMBL7960867

O=C(O)N1CCOC1c1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
TSHR P16473 3/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
HRH1 P35367 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL28942169 0.69 RBP4 (0.50) KCNH2SMN1; SMN2CYP2D6ALDH1A1POLB
SCHEMBL4513322 0.68 DRD3 (0.46)
SCHEMBL14562462 0.67 HTR2C (0.53) HTR2AHTR2CHTR2BTERTNPSR1
SCHEMBL1558330 0.66 DRD2 (0.66)
SCHEMBL18642715 0.65 L3MBTL1 (0.51) L3MBTL1KDM4E
SCHEMBL5055418 0.65 AR (0.38) HTR2AHTR2CHTR2BCYP2D6MAOA
SCHEMBL2048903 0.64 HTR2A (0.44) L3MBTL1TSHRHTR2AHTR2CHTR2B
SCHEMBL20710319 0.64 RIPK1 (0.63) L3MBTL1TSHRALDH1A1POLBADRB2
SCHEMBL20710310 0.64 RIPK1 (0.63) L3MBTL1TSHRALDH1A1POLBADRB2
SCHEMBL27820532 0.64 TERT (0.40) HTR2AHTR2CHTR2BMAPTTERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6310058-B1 N-HYDROXYAZEPIN-2-ONES SUBSTITUTED AT 3 POSITION WITH A GROUP CONTAINING A 2-PHENYLOXAZOLE OR 2-PHENYLOXAZOLINE GROUP FOR TREATING TUBERCULOSIS UNIVERSITY OF NOTRE DAME DU LAC 2001-10-30 US disclosed