SCHEMBL7287907

SCHEMBL7287907

CC1Oc2c(C(=O)OC3CC4CCC(C3)N4C)cc(Cl)cc2N(C)C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 6/20 0.57
HTR3B O95264 6/20 0.57
HTR3A P46098 6/20 0.57
HTR3D Q70Z44 6/20 0.57
HTR3C Q8WXA8 6/20 0.57
CYP2D6 P10635 4/20 0.57
CYP1A2 P05177 2/20 0.57
GMNN O75496 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
MTOR P42345 1/20 0.57
PMP22 Q01453 1/20 0.57
HSD17B10 Q99714 1/20 0.57
GAA P10253 1/20 0.56
CYP2C19 P33261 2/20 0.50
LMNA P02545 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NR1I2 O75469 1/20 0.46
CHRNA7 P36544 1/20 0.45

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
SCHEMBL7281427 0.96 HTR3A (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7280903 0.82 HTR3A (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29881195 0.82 HTR3A (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7288365 0.80 SERPINH1 (0.38) HTR3ACYP1A2TSHRHSD17B10GAA
SCHEMBL7279005 0.78 GLA (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7282398 0.76 HTR2A (0.36) HTR3ACYP1A2ALOX15TSHRHSD17B10
Bemesetron SCHEMBL5790539 0.73 CYP2D6 (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
Bemesetron SCHEMBL29430183 0.73 CYP2D6 (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
Bemesetron SCHEMBL10765684 0.73 CYP2D6 (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
Bemesetron SCHEMBL195148 0.73 CYP2D6 (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0313393-B1 Benzoxazine compounds and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL (JP) 1994-03-16 EP disclosed
US-4892872-A ANTIEMETICS, ANTINAUSEA YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-01-09 US disclosed
EP-0313393-A2 Benzoxazine compounds and pharmaceutical use thereof Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-04-26 EP disclosed